Sugi Predict

Sugi Predict / Compounds / SCHEMBL239125

SCHEMBL239125

SCHEMBL239125

O=C(O)CCCC(CCCC(=O)O)(CCCC(=O)O)c1cc[c]cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 2/20 0.37
▸ HDAC4 P56524 2/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC7 Q8WUI4 2/20 0.37
▸ HDAC2 Q92769 2/20 0.37
▸ HDAC10 Q969S8 2/20 0.37
▸ HDAC11 Q96DB2 2/20 0.37
▸ HDAC8 Q9BY41 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ HDAC9 Q9UKV0 2/20 0.37
▸ HDAC5 Q9UQL6 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ LMNA P02545 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL239872 0.89 ALDH1A1 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL241628 0.76 — —
SCHEMBL240545 0.76 CYP2C19 (0.41) ADRA1AALDH1A1TSHRHIF1A
SCHEMBL241145 0.73 TYMS (0.38) ALDH1A1CYP3A4LMNANFKB1PMP22
SCHEMBL243213 0.72 — —
SCHEMBL241424 0.72 — —
SCHEMBL238009 0.71 — —
SCHEMBL241358 0.71 HDAC3 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL298309 0.69 MAPT (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL243384 0.68 GRM4 (0.36) ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173630-B2 Multipodal tethers for high-density attachment of redox-active moieties to substrates THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-05-08 — — US claimed
EP-4319823-A1 PORPHYRIN-HYDROPORPHYRIN COMPOUNDS, COMPOSITIONS COMPRISING THE SAME AND METHODS OF USE THEREOF North Carolina State University (US) 2024-02-14 — — EP disclosed
WO-2022216927-A9 PORPHYRIN-HYDROPORPHYRIN COMPOUNDS, COMPOSITIONS COMPRISING THE SAME AND METHODS OF USE THEREOF NORTH CAROLINA STATE UNIVERSITY (US) 2023-09-14 — — WO disclosed
US-10919904-B2 Northern-southern route to synthesis of bacteriochlorins NORTH CAROLINA STATE UNIVERSITY (US) 2021-02-16 — — US disclosed
US-10836774-B2 Methods for making bacteriochlorin macrocycles comprising an annulated isocyclic ring and related compounds NORTH CAROLINA STATE UNIVERSITY (US) 2020-11-17 — — US disclosed
US-20190308985-A1 METHODS FOR MAKING BACTERIOCHLORIN MACROCYCLES COMPRISING AN ANNULATED ISOCYCLIC RING AND RELATED COMPOUNDS UNITED STATES DEPARTMENT OF ENERGY 2019-10-10 — — US disclosed
US-20190256521-A1 NORTHERN-SOUTHERN ROUTE TO SYNTHESIS OF BACTERIOCHLORINS UNITED STATES DEPARTMENT OF ENERGY 2019-08-22 — — US disclosed
US-10253033-B2 De novo synthesis of bacteriochlorins NORTH CAROLINA STATE UNIVERSITY (US) 2019-04-09 — — US disclosed
WO-2018102252-A1 METHODS FOR MAKING BACTERIOCHLORIN MACROCYCLES COMPRISING AN ANNULATED ISOCYCLIC RING AND RELATED COMPOUNDS NORTH CAROLINA STATE UNIVERSITY (US) 2018-06-07 — — WO disclosed
US-20180072746-A1 DE NOVO SYNTHESIS OF BACTERIOCHLORINS UNIV NORTH CAROLINA STATE (US) 2018-03-15 — — US disclosed
US-7501508-B2 Methods and intermediates for the synthesis of porphyrins NORTH CAROLINE STATE UNIVERSITY (US) 2009-03-10 — — US disclosed
US-20070155963-A1 Geometric synthesis of porphyrin rods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-07-05 — — US disclosed
WO-2007064842-A2 SYNTHESIS OF CHLORINS AND PHORBINES WITH ENHANCED RED SPECTRAL FEATURES NORTH CAROLINA STATE UNIVERSITY (US) 2007-06-07 — — WO disclosed
US-20070108438-A1 Multypodal tethers for high-density attachment of redox-active moieties to substrates THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2007-05-17 — — US disclosed
WO-2007047925-A2 SWALLOWTAIL MOTIFS FOR IMPARTING WATER SOLUBILITY TO PORPHYRINIC COMPOUNDS NORTH CAROLINA STATE UNIVERSITY (US) 2007-04-26 — — WO disclosed
WO-2007018808-A2 METHODS AND INTERMEDIATES FOR THE SYNTHESIS OF PORPHYRINS NORTH CAROLINA STATE UNIVERSITY (US) 2007-02-15 — — WO disclosed
WO-2007018807-A2 METHODS AND INTERMEDIATES FOR THE SYNTHESIS OF PORPHYRINS NORTH CAROLINA STATE UNIVERSITY (US) 2007-02-15 — — WO disclosed
US-20070027311-A1 Methods and intermediates for the synthesis of porphyrins NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-02-01 — — US disclosed
US-20070027312-A1 Methods and intermediates for the synthesis of porphyrins NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-02-01 — — US disclosed
US-20060194960-A1 infections, burns, sepsis, ulcers, periodontal disease, atherosclerosis, cosmetic and dermatologic conditions, acne, tissue sealing, neoplastic disease or cancer; active agents in photodynamic therapy, luminescent compounds in flow cytometry, solar cells, light harvesting arrays, molecular memory devices NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-08-31 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070155963-A1 Geometric synthesis of porphyrin rods PPOX, DLD, PYCR1 HDAC3 4861/4885HDAC4 4806/4885HDAC1 4560/4885
US-10253033-B2 De novo synthesis of bacteriochlorins BCL6, ALDH1A2, ALAD HDAC3 3482/4885HDAC4 3227/4885HDAC1 2528/4885
US-20060194960-A1 infections, burns, sepsis, ulcers, periodontal disease, atherosclerosis, cosmetic and dermatologic conditions, acne, tissue sealing, neoplastic disease or cancer; active agents in photodynamic therapy, luminescent compounds in flow cytometry, solar cells, light harvesting arrays, molecular memory devices PCNA, SCD, BCL6 HDAC3 1879/4885HDAC4 2499/4885HDAC1 881/4885
US-20190256521-A1 NORTHERN-SOUTHERN ROUTE TO SYNTHESIS OF BACTERIOCHLORINS DLD, HCCS, PPIF HDAC3 2061/4885HDAC4 3507/4885HDAC1 3079/4885
US-10836774-B2 Methods for making bacteriochlorin macrocycles comprising an annulated isocyclic ring and related compounds PPOX, MRPL19, PYCR1 HDAC3 842/4885HDAC4 1454/4885HDAC1 726/4885
US-10919904-B2 Northern-southern route to synthesis of bacteriochlorins DLD, HCCS, PPIF HDAC3 2061/4885HDAC4 3507/4885HDAC1 3079/4885
US-20190308985-A1 METHODS FOR MAKING BACTERIOCHLORIN MACROCYCLES COMPRISING AN ANNULATED ISOCYCLIC RING AND RELATED COMPOUNDS PPOX, PPIC, ALAD HDAC3 895/4885HDAC4 1913/4885HDAC1 826/4885
US-20070027312-A1 Methods and intermediates for the synthesis of porphyrins PPOX, DHPS, POR HDAC3 4568/4885HDAC4 4687/4885HDAC1 3718/4885
US-20180072746-A1 DE NOVO SYNTHESIS OF BACTERIOCHLORINS BCL6, ALDH1A2, ALAD HDAC3 3482/4885HDAC4 3227/4885HDAC1 2528/4885
US-20070027311-A1 Methods and intermediates for the synthesis of porphyrins PPOX, HMBS, CYC1 HDAC3 4588/4885HDAC4 4768/4885HDAC1 3929/4885
US-20070108438-A1 Multypodal tethers for high-density attachment of redox-active moieties to substrates DNMT1, TET1, SOD1 HDAC3 4331/4885HDAC4 2947/4885HDAC1 2320/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.