SCHEMBL457684

SCHEMBL457684

CCc1[c]cc(OC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA12 O43570 1/20 0.42
CA14 Q9ULX7 1/20 0.42
NR1I2 O75469 1/20 0.38
ACHE P22303 1/20 0.36
IDO1 P14902 2/20 0.35
TDP1 Q9NUW8 3/20 0.34
MAPK1 P28482 2/20 0.34
MAPT P10636 3/20 0.34
GAA P10253 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
AGXT P21549 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
THRB P10828 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL16958737 0.85 CA12 (0.40) CA1CA2CA7CA9CA12
SCHEMBL15063892 0.84 ESR2 (0.44) CA1CA2CA7CA9CA12
SCHEMBL6846298 0.82 HRH2 (0.39) CA1CA2CA7CA9CA12
SCHEMBL7772435 0.81 NQO1 (0.52) CA1CA2CA7CA9CA12
SCHEMBL3924093 0.81 TAAR1 (0.41) CA1CA2CA7CA9CA12
SCHEMBL21708160 0.80 NQO1 (0.32)
SCHEMBL18705940 0.79 SLC6A4 (0.42) CA1CA2CA7CA9CA12
SCHEMBL28117570 0.79 CASP3 (0.41) MAPK1THRBALDH1A1CYP3A4
SCHEMBL21708116 0.79 KDM4E (0.38) TDP1MAPK1MAPTL3MBTL1KDM4E
SCHEMBL18705795 0.78 MEN1 (0.37) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3237385-B1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER US HEALTH (US) 2021-11-24 EP claimed
CN-107428690-B Mutant IDH1 inhibitors useful for the treatment of cancer 美国政府健康及人类服务部 2021-04-13 CN claimed
US-10703746-B2 Mutant IDH1 inhibitors useful for treating cancer THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-07-07 US claimed
US-20190071434-A1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER THE USA AS REPRESENTED BY THE SEC DEP OF HEALTH AND HUMAN SERVICES (US) 2019-03-07 US claimed
EP-3237385-A1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER The United States of America, as represented by The Secretary, Department of Health and Human Services (US) 2017-11-01 EP claimed
WO-2016106331-A1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER THE UNITED STATES OF AMERICA (US) 2016-06-30 WO claimed
EP-1814847-B1 NOVEL METHOD FOR PREPARING 3-[5'-(3,4-BIS-HYDROXYMETHYL-BENZYLOXY)-2'- ETHYL-2-PROPYL-BIPHENYL-4-YL]-PENTA-3-OL GALDERMA RES & DEV (FR) 2011-01-12 EP claimed
EP-1814847-A1 NOVEL METHOD FOR PREPARING 3-[5'-(3,4-BIS-HYDROXYMETHYL-BENZYLOXY)-2'- ETHYL-2-PROPYL-BIPHENYL-4-YL]-PENTA-3-OL Galderma Research & Development (FR) 2007-08-08 EP claimed
WO-2006053985-A1 NOVEL METHOD FOR PREPARING 3-[5'-(3,4-BIS-HYDROXYMETHYL-BENZYLOXY)-2'- ETHYL-2-PROPYL-BIPHENYL-4-YL]-PENTA-3-OL GALDERMA RESEARCH & DEVELOPMENT (FR) 2006-05-26 WO claimed
EP-0986560-B1 PYRROLO 2,1,5-CD]INDOLIZINE DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES KAROBIO AB (SE) 2004-03-24 EP claimed
EP-3237385-B1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER US HEALTH (US) 2021-11-24 EP disclosed
US-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-05-11 US disclosed
CN-107428690-B Mutant IDH1 inhibitors useful for the treatment of cancer 美国政府健康及人类服务部 2021-04-13 CN disclosed
US-10703746-B2 Mutant IDH1 inhibitors useful for treating cancer THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-07-07 US disclosed
US-20200196600-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-06-25 US disclosed
US-6184245-B1 Cyclic ketone derivatives and their medical applications TORAY INDUSTRIES INC. (JP) 2001-02-06 US disclosed
US-6100292-A Ketone derivatives and their medical applications TORAY INDUSTRIES, INC. (JP) 2000-08-08 US disclosed
WO-2000017157-A1 OPTICALLY ACTIVE SUBSTITUTED N-ARYL-O-ARYLOXYALKYL-CARBAMATES BAYER AKTIENGESELLSCHAFT (DE) 2000-03-30 WO disclosed
EP-0980867-A1 KETONE DERIVATIVES AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2000-02-23 EP disclosed
EP-0962456-A1 CYCLIC KETONE DERIVATIVE AND PHARMACEUTICAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 1999-12-08 EP 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-20200196600-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, PDXK, PLPBP CA1 4274/4885CA2 3202/4885CA7 3722/4885
US-20190071434-A1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER IDH1, IDH3B, IDH3A CA1 1401/4885CA2 847/4885CA7 996/4885
US-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, PDXK, PLPBP CA1 4274/4885CA2 3202/4885CA7 3722/4885
US-10703746-B2 Mutant IDH1 inhibitors useful for treating cancer IDH1, IDH3B, IDH3A CA1 1401/4885CA2 847/4885CA7 996/4885

“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.