SCHEMBL12174587

SCHEMBL12174587

O=C(I)CCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.67
▸ FFAR1 O14842 5/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ TDP1 Q9NUW8 3/20 0.57
▸ HDAC2 Q92769 2/20 0.57
▸ HDAC8 Q9BY41 2/20 0.57
▸ HDAC6 Q9UBN7 2/20 0.57
▸ HDAC1 Q13547 3/20 0.56
▸ HDAC3 O15379 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ ADRA1A P35348 1/20 0.56
▸ HDAC4 P56524 1/20 0.56
▸ SLC6A3 Q01959 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ HDAC7 Q8WUI4 1/20 0.56
▸ HDAC10 Q969S8 1/20 0.56
▸ HDAC11 Q96DB2 1/20 0.56
▸ HDAC9 Q9UKV0 1/20 0.56
▸ HDAC5 Q9UQL6 1/20 0.56
▸ MAPT P10636 2/20 0.53

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
SCHEMBL18657104 0.86 HDAC1 (0.69) KEAP1FFAR1ALDH1A1TDP1HDAC2
SCHEMBL25634733 0.82 KEAP1 (0.61) KEAP1FFAR1ALDH1A1TDP1HDAC2
Phenyl Propionic Acid SCHEMBL27523271 0.80 KEAP1 (1.00) KEAP1FFAR1ALDH1A1TDP1HDAC2
Phenyl Propionic Acid SCHEMBL29619843 0.80 KEAP1 (1.00) KEAP1FFAR1ALDH1A1TDP1HDAC2
Phenyl Propionic Acid SCHEMBL235064 0.80 KEAP1 (1.00) KEAP1FFAR1ALDH1A1TDP1HDAC2
Phenyl Propionic Acid SCHEMBL3419 0.80 KEAP1 (1.00) KEAP1FFAR1ALDH1A1TDP1HDAC2
Phenyl Propionic Acid SCHEMBL13618844 0.80 KEAP1 (1.00) KEAP1FFAR1ALDH1A1TDP1HDAC2
SCHEMBL497371 0.80 KEAP1 (0.73) KEAP1FFAR1ALDH1A1TDP1HDAC2
SCHEMBL4279627 0.80 KEAP1 (0.73) KEAP1FFAR1ALDH1A1TDP1HDAC2
SCHEMBL12659858 0.79 ESR1 (0.56) ALDH1A1TDP1HDAC2HDAC8MAPK1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024050825-A1 COMPOUNDS AS MLKL INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2024-03-14 — — WO disclosed
US-20230271988-A1 METHOD FOR PRODUCING ORGANOMETALLIC NUCLEOPHILE AND REACTION METHOD USING ORGANOMETALLIC NUCLEOPHILE NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2023-08-31 — — US disclosed
EP-2003124-B1 Semi-synthesis of taxane intermediates from 9-dihydro-13-acetylbaccatin III CHATHAM BIOTEC LTD (CA) 2015-02-25 — — EP disclosed
US-8067454-B2 Thio-substituted Anthra [1, 2-d] imidazole- 6, 11-dione derivatives, preparation method and application thereof NATIONAL DEFENSE MEDICAL CENTER (TW) 2011-11-29 — — US disclosed
US-20110207727-A1 Thio-subsituted Anthra [1, 2-d] imidazole- 6, 11-dione Dervatives, Preparation Method and application thereof NATIONAL DEFENSE MEDICAL CENTER (TW) 2011-08-25 — — US disclosed
US-20100144698-A1 SUBSTITUTED AZETIDINONES DAIAMED (US) 2010-06-10 — — US disclosed
WO-2009091324-A1 QUINOLINE, NAPHTHALENE AND CONFORMATIONALLY CONSTRAINED QUINOLINE OR NAPHTHALENE DERIVATES AS ANTI-MYCOBACTERIAL AGENTS CHATTOPADHYAYA JYOTI (SE) 2009-07-23 — — WO disclosed
US-20090143351-A1 SUBSTITUTED AZETIDINONES DAIAMED (US) 2009-06-04 — — US disclosed
US-7501404-B2 Substituted azetidinones DAIMED (US) 2009-03-10 — — US disclosed
EP-1997823-A1 Boronic ester and acid compounds, synthesis and uses Millennium Pharmaceuticals, Inc. (US) 2008-12-03 — — EP disclosed
WO-2008064265-A2 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR PLEXXIKON, INC. (US) 2008-05-29 — — 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 (4 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-20230271988-A1 METHOD FOR PRODUCING ORGANOMETALLIC NUCLEOPHILE AND REACTION METHOD USING ORGANOMETALLIC NUCLEOPHILE HPD, TALDO1, OGG1 KEAP1 685/4885FFAR1 4600/4885ALDH1A1 1554/4885
US-20110207727-A1 Thio-subsituted Anthra [1, 2-d] imidazole- 6, 11-dione Dervatives, Preparation Method and application thereof TERT, ACIN1, TERF2 KEAP1 1128/4885FFAR1 4480/4885ALDH1A1 204/4885
US-20100144698-A1 SUBSTITUTED AZETIDINONES F2R, CPA3, CFD KEAP1 1670/4885FFAR1 2994/4885ALDH1A1 2503/4885
US-20090143351-A1 SUBSTITUTED AZETIDINONES F2R, CPA3, CFD KEAP1 1670/4885FFAR1 2994/4885ALDH1A1 2503/4885

“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.

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