SCHEMBL633489

SCHEMBL633489

Cc1c(C)c2c(c(C=O)c1O)CCC(C)(C)O2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
ALOX5 P09917 6/20 0.42
CCR5 P51681 1/20 0.41
MAPT P10636 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
GSTP1 P09211 1/20 0.36
TTPA P49638 1/20 0.36
KMT2A Q03164 1/20 0.36
USP2 O75604 1/20 0.36
THRB P10828 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NR1I2 O75469 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
SCHEMBL4470433 0.84 PTGS1 (0.43) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL5773655 0.82 PTGS1 (0.48) PTGS1PTGS2CYP1A2CYP3A4TSHR
Apc-100 SCHEMBL29788307 0.80 CYP3A4 (0.64) PTGS1PTGS2CYP1A2CYP3A4TSHR
Apc-100 SCHEMBL633424 0.80 CYP3A4 (0.64) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL5839784 0.79 PDE4D (0.36) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL1286097 0.77 PTGS2 (0.41) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL1286098 0.77 PTGS2 (0.41) PTGS1PTGS2CYP1A2CYP3A4TSHR
Apc-100 SCHEMBL3134545 0.77 CYP3A4 (0.60) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL5796169 0.76 CYP3A4 (0.48) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL1285831 0.76 CYP3A4 (0.48) PTGS1PTGS2CYP1A2CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2262508-B1 SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES BIOELECTRON TECH CORP (US) 2018-10-03 EP disclosed
US-9090576-B2 2-substituted-p-quinone derivatives for treatment of oxidative stress diseases EDISON PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-20140329860-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES EDISON PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-8716527-B2 2-substituted-p-quinone derivatives for treatment of oxidative stress diseases EDISON PHARMACEUTICALS, INC. (US) 2014-05-06 US disclosed
EP-2419095-A2 PHARMACEUTICALLY ACTIVE COMPOSITIONS COMPRISING OXIDATIVE STRESS MODULATORS (OSM), NEW CHEMICAL ENTITIES, COMPOSITIONS AND USES Colby Pharmaceutical Company (US) 2012-02-22 EP disclosed
US-20110124679-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES PTC THERAPEUTICS, INC. 2011-05-26 US disclosed
EP-2262508-A2 SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES Edison Pharmaceuticals, Inc. (US) 2010-12-22 EP disclosed
US-20100297262-A1 PHARMACEUTICALLY ACTIVE COMPOSITIONS COMPRISING OXIDATIVE STRESS MODULATORS (OSM), NEW CHEMICAL ENTITIES, COMPOSITIONS AND USES COLBY PHARMACEUTICAL COMPANY (US) 2010-11-25 US disclosed
US-20100297262-A1 PHARMACEUTICALLY ACTIVE COMPOSITIONS COMPRISING OXIDATIVE STRESS MODULATORS (OSM), NEW CHEMICAL ENTITIES, COMPOSITIONS AND USES COLBY PHARMACEUTICAL COMPANY (US) 2010-11-25 US disclosed
US-20100297262-A1 PHARMACEUTICALLY ACTIVE COMPOSITIONS COMPRISING OXIDATIVE STRESS MODULATORS (OSM), NEW CHEMICAL ENTITIES, COMPOSITIONS AND USES COLBY PHARMACEUTICAL COMPANY (US) 2010-11-25 US disclosed
WO-2010121177-A2 PHARMACEUTICALLY ACTIVE COMPOSITIONS COMPRISING OXIDATIVE STRESS MODULATORS (OSM), NEW CHEMICAL ENTITIES, COMPOSITIONS AND USES COLBY PHARMACEUTICAL COMPANY (US) 2010-10-21 WO disclosed
WO-2009111576-A2 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES EDISON PHARMACEUTICALS, INC. (US) 2009-09-11 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 (3 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-20110124679-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES NQO1, TXNRD2, MT-ND2 PTGS1 505/4885PTGS2 372/4885CYP1A2 945/4885
US-20140329860-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES NQO1, TXNRD2, MT-ND2 PTGS1 505/4885PTGS2 372/4885CYP1A2 945/4885
US-20100297262-A1 PHARMACEUTICALLY ACTIVE COMPOSITIONS COMPRISING OXIDATIVE STRESS MODULATORS (OSM), NEW CHEMICAL ENTITIES, COMPOSITIONS AND USES MPO, HMOX1, LPO PTGS1 57/4885PTGS2 77/4885CYP1A2 1910/4885

“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.