SCHEMBL3799442

SCHEMBL3799442

CCCCc1cc(C)on1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.47
NOS2 P35228 1/20 0.43
MAPT P10636 1/20 0.40
RECQL P46063 1/20 0.40
KCNH2 Q12809 1/20 0.39
MAPK14 Q16539 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 2/20 0.36
TP53 P04637 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL12461257 0.96 PPARA (0.51) PPARANOS2MAPTRECQLKCNH2
SCHEMBL7504627 0.94 PPARA (0.54) PPARANOS2MAPTRECQLKCNH2
SCHEMBL25970261 0.94 PPARA (0.54) PPARANOS2MAPTRECQLKCNH2
SCHEMBL7356165 0.87
SCHEMBL9666153 0.82 MAPT (0.39) PPARAMAPTRECQLALDH1A1TRPM8
SCHEMBL6391920 0.82 PPARA (0.40) PPARAMAPTRECQLALDH1A1TRPM8
SCHEMBL8977882 0.82 ALDH1A1 (0.40) PPARAMAPTRECQLALDH1A1TRPM8
SCHEMBL8977881 0.82 MAPT (0.39) PPARAMAPTRECQLALDH1A1TRPM8
SCHEMBL18256058 0.82 ALDH1A1 (0.40) PPARAMAPTRECQLALDH1A1TRPM8
SCHEMBL18256162 0.82 MAPT (0.39) PPARAMAPTRECQLALDH1A1TRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023199940-A1 LIQUID COMPOSITION 花王株式会社 2023-10-19 WO disclosed
CN-107108658-A Substituted cyclic pyrimidines and their use 拜耳医药股份有限公司 2017-08-29 CN disclosed
CN-104955823-A Carboxy-substituted imidazo [1,2-a ] pyridinecarboxamides and their use as stimulators of soluble guanylate cyclase Bayer Pharma AG 2015-09-30 CN disclosed
CN-101910229-B Onium salt-containing polymer NIPPON SODA CO 2013-01-30 CN disclosed
EP-2398782-A1 ISOXAZOLE-ISOXAZOLE AND ISOXAZOLE-ISOTHIAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-12-28 EP disclosed
CN-101910229-A Onium salt-containing polymer NIPPON SODA CO 2010-12-08 CN disclosed
WO-2010094669-A1 ISOXAZOLE-ISOXAZOLE AND ISOXAZOLE-ISOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 WO disclosed
EP-2130820-A1 Antipruritics SHIONOGI & CO., LTD. (JP) 2009-12-09 EP disclosed
EP-1477186-B1 ANTIPRURITICS SHIONOGI & CO (JP) 2009-11-11 EP disclosed
US-7446195-B2 High affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION (US) 2008-11-04 US disclosed
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION 2007-02-22 US disclosed
WO-2006056930-A2 NOVEL 4 -AMINOPIPERIDINE DERIVATIVES AS PLASMEPSIN II INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2006-06-01 WO disclosed
CN-1200932-C Substituted phenylcyclohexane carboxylic acid amides that have an adenosine uptake inhibiting effect BAYER AG (DE) 2005-05-11 CN disclosed
CN-1365356-A Substituted phenylcyclohexane carboxylic acid amides that have an adenosine uptake inhibiting effect BAYER AG (DE) 2002-08-21 CN disclosed
CN-1145075-A Antagonist's of endothelin receptors JAPAT LTD (CH) 1997-03-12 CN disclosed
CN-1097745-A The piperazine that replaces BAYER AG (DE) 1995-01-25 CN disclosed
CN-1086809-A 5-oxo-dibenzo [a, d] ring heptan-1, the 4-diene BAYER AG (DE) 1994-05-18 CN 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 (1 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-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands CDKL2, CDK2, CDKL1 PPARA 3041/4885NOS2 3934/4885MAPT 2145/4885

“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.