SCHEMBL239221

SCHEMBL239221

OCCC[C](CCCO)CCCO

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CAMK2A Q9UQM7 1/20 0.47
TSHR P16473 3/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
LMNA P02545 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SQLE Q14534 2/20 0.31

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
SCHEMBL735578 0.92 CAMK2A (0.42) CAMK2ATSHRALDH1A1SMN1; SMN2GPR84
SCHEMBL7066550 0.84
SCHEMBL11522529 0.78 TSHR (0.63) TSHRALDH1A1SMN1; SMN2GPR84FFAR1
SCHEMBL15140766 0.78 TSHR (0.63) TSHRALDH1A1SMN1; SMN2GPR84FFAR1
SCHEMBL10276322 0.78
SCHEMBL240790 0.70 TSHR (0.40) TSHRALDH1A1SQLE
1,4-Butanediol SCHEMBL18642509 0.68 SMN1; SMN2 (0.58) CAMK2ATSHRALDH1A1SMN1; SMN2GPR84
1,4-Butanediol SCHEMBL324322 0.68 SMN1; SMN2 (0.58) CAMK2ATSHRALDH1A1SMN1; SMN2GPR84
1,3-Propanediol SCHEMBL8850846 0.68 TSHR (0.50) CAMK2ATSHRALDH1A1SMN1; SMN2GPR84
1,4-Butanediol SCHEMBL18642519 0.68 SMN1; SMN2 (0.58) CAMK2ATSHRALDH1A1SMN1; SMN2GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8278451-B2 Pseudoazulenyl nitrones THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) 2012-10-02 US claimed
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
US-20100016349-A1 PSEUDOAZULENYL NITRONES THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) 2010-01-21 US claimed
WO-2008002614-A2 PSEUDOAZULENYL NITRONES THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) 2008-01-03 WO claimed
EP-0779888-B1 PYRIMIDO [5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA (DE) 1999-04-28 EP claimed
US-5707989-A ANTITUMOR AGENTS, INHIBITING SIGNAL TRANSDUCTION MEDIATED BY TYROSINE KINASES DR. KARL THOMAE GMBH (DE) 1998-01-13 US claimed
EP-0779888-A1 PYRIMIDO [5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1997-06-25 EP claimed
WO-1996007657-A1 PYRIMIDO[5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1996-03-14 WO claimed
CN-117881432-A Porphyrin-hydrogen porphyrin compounds, compositions comprising the same, and methods of use thereof 北卡罗莱纳州立大学 2024-04-12 CN disclosed
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-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
EP-0779888-B1 PYRIMIDO [5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA (DE) 1999-04-28 EP disclosed
US-5707989-A ANTITUMOR AGENTS, INHIBITING SIGNAL TRANSDUCTION MEDIATED BY TYROSINE KINASES DR. KARL THOMAE GMBH (DE) 1998-01-13 US disclosed
EP-0779888-A1 PYRIMIDO [5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1997-06-25 EP disclosed
WO-1996007657-A1 PYRIMIDO[5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1996-03-14 WO 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 (6 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-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 CAMK2A 3548/4885TSHR 4693/4885ALDH1A1 205/4885
US-10836774-B2 Methods for making bacteriochlorin macrocycles comprising an annulated isocyclic ring and related compounds PPOX, MRPL19, PYCR1 CAMK2A 4007/4885TSHR 974/4885ALDH1A1 1630/4885
US-10919904-B2 Northern-southern route to synthesis of bacteriochlorins DLD, HCCS, PPIF CAMK2A 2080/4885TSHR 3314/4885ALDH1A1 2805/4885
US-20190308985-A1 METHODS FOR MAKING BACTERIOCHLORIN MACROCYCLES COMPRISING AN ANNULATED ISOCYCLIC RING AND RELATED COMPOUNDS PPOX, PPIC, ALAD CAMK2A 4368/4885TSHR 3099/4885ALDH1A1 1003/4885
US-20070027312-A1 Methods and intermediates for the synthesis of porphyrins PPOX, DHPS, POR CAMK2A 3932/4885TSHR 3840/4885ALDH1A1 567/4885
US-20100016349-A1 PSEUDOAZULENYL NITRONES TXN2, NOX5, TXNRD2 CAMK2A 2062/4885TSHR 3186/4885ALDH1A1 900/4885

“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.