SCHEMBL3874953

SCHEMBL3874953

Oc1cc(O)c2c(c1)[nH]c1ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.63
IMPDH1 P20839 1/20 0.63
CDK4 P11802 1/20 0.53
CCND1 P24385 1/20 0.53
ALDH1A1 P00352 4/20 0.48
GPR3 P46089 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 2/20 0.47
POLB P06746 1/20 0.47
CASP6 P55212 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 4/20 0.47
AHR P35869 2/20 0.47
NQO1 P15559 1/20 0.46

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
SCHEMBL30873777 1.00 IMPDH2 (0.63) IMPDH2IMPDH1CDK4CCND1ALDH1A1
SCHEMBL382594 0.86 GAA (0.58) IMPDH2IMPDH1CDK4CCND1ALDH1A1
SCHEMBL29055513 0.81 IMPDH2 (0.59) IMPDH2IMPDH1CDK4CCND1ALDH1A1
SCHEMBL25782141 0.81 KDM4E (0.50) IMPDH2IMPDH1CDK4CCND1ALDH1A1
SCHEMBL3875962 0.81 CDK4 (0.50) IMPDH2IMPDH1CDK4CCND1ALDH1A1
SCHEMBL3886228 0.81 IMPDH2 (0.59) IMPDH2IMPDH1CDK4CCND1ALDH1A1
Carbazole SCHEMBL27962774 0.79 ALDH1A1 (0.70) IMPDH2IMPDH1CDK4CCND1ALDH1A1
SCHEMBL3884410 0.79 ESR1 (0.46) IMPDH2IMPDH1ALDH1A1HSD17B10MEN1
SCHEMBL22163286 0.78 IMPDH2 (0.60) IMPDH2IMPDH1CDK4CCND1ALDH1A1
SCHEMBL31780731 0.78 IMPDH2 (1.00) IMPDH2IMPDH1CDK4CCND1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104562040-B Azacyclo-modified polysiloxane corrosion inhibitor composition and preparation method thereof 中国石油化工股份有限公司 2017-05-17 CN claimed
US-9289414-B2 Carbazole formulations for the treatment of psoriasis and angiogenesis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-03-22 US claimed
CN-104562040-A Azacyclo-modified polysiloxane corrosion inhibitor composition and preparation method thereof CHINA PETROLEUM & CHEMICAL 2015-04-29 CN claimed
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 US claimed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 US claimed
CN-117924369-A Phosphite group-containing carbazole polymerization inhibitor, preparation method and application thereof 万华化学集团股份有限公司 2024-04-26 CN disclosed
US-20230309380-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC APPARATUS IDEMITSU KOSAN CO.,LTD. (JP) 2023-09-28 US disclosed
CN-111286020-B Preparation method of polyether polyol with fluorescent characteristic 山东蓝星东大有限公司 2022-12-27 CN disclosed
CN-111286020-A Preparation method of polyether polyol with fluorescent characteristic 山东蓝星东大有限公司 2020-06-16 CN disclosed
CN-104562040-B Azacyclo-modified polysiloxane corrosion inhibitor composition and preparation method thereof 中国石油化工股份有限公司 2017-05-17 CN disclosed
CN-103764143-B Lipoxygenase inhibitors 斯坦福国际咨询研究所 2017-05-03 CN disclosed
CN-104562040-A Azacyclo-modified polysiloxane corrosion inhibitor composition and preparation method thereof CHINA PETROLEUM & CHEMICAL 2015-04-29 CN disclosed
US-7491245-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2009-02-17 US disclosed
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 US disclosed
US-7331997-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-02-19 US disclosed
EP-1735059-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-12-27 EP disclosed
WO-2005099656-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-10-27 WO disclosed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 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 (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-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, TUBB6 IMPDH2 2923/4885IMPDH1 2771/4885CDK4 694/4885
US-20230309380-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC APPARATUS PIEZO1, OR10J3, TMEM109 IMPDH2 2892/4885IMPDH1 2297/4885CDK4 2237/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 IMPDH2 2923/4885IMPDH1 2771/4885CDK4 694/4885

“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.