SCHEMBL458330

SCHEMBL458330

CCc1cc[c]c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.42
TUBB1 Q9H4B7 1/20 0.36
TRPA1 O75762 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL1171484 0.84 CNR1 (0.37) PTGS2TUBB1
SCHEMBL7690729 0.82 NQO1 (0.34) PTGS2TRPA1CYP1A2CYP2A6NOS3
SCHEMBL3367670 0.82 LOXL2 (0.43)
SCHEMBL359220 0.82 MAPT (0.38)
SCHEMBL1012044 0.81 SKP2 (0.40) PTGS2TUBB1
SCHEMBL27876071 0.80 TUBB1 (0.38) PTGS2TUBB1
SCHEMBL3363967 0.79 KDM4E (0.50) CYP1A2TP53
SCHEMBL931853 0.79 ALOX15 (0.39) PTGS2TRPA1CYP1A2TP53
SCHEMBL15353293 0.79 TRPA1 (0.31) PTGS2TRPA1CYP1A2CYP2A6
SCHEMBL11212743 0.78 PPARG (0.46) PTGS2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116041212-A Preparation and application of difluoro olefin ether and oxime ether derivatives 安徽农业大学 2023-05-02 CN claimed
CN-113443965-B Method for generating aryl phenol compound by hydrolyzing diaryl ether compound 华东师范大学 2022-09-20 CN claimed
CN-113443965-A Method for generating aryl phenol compound by hydrolyzing diaryl ether compound 华东师范大学 2021-09-28 CN claimed
EP-2170864-B1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2011-09-14 EP claimed
EP-2252594-A2 5-FLUORO PYRIMIDINE DERIVATIVES AS FUNGICIDES Dow AgroSciences LLC (US) 2010-11-24 EP claimed
WO-2009131692-A1 SUBSTRATES FOR DELIVERY OF PHYSIOLOGICALLY ACTIVE AGENTS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2009-10-29 WO claimed
WO-2009094442-A2 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2009-07-30 WO claimed
US-7312214-B2 1, 1-disubstituted cycloalkyl derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US claimed
EP-1505966-A4 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-08-30 EP claimed
EP-1505966-A1 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2005-02-16 EP claimed
US-20040254158-A1 Anticoagulants; atherosclerosis; strokes; thrombosis; cardiovascular disorders BRISTOL-MYERS SQUIBB COMPANY 2004-12-16 US claimed
WO-2003099276-A1 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 WO claimed
US-4567197-A THORMBOXANE A2 ANTAGONISTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-01-28 US claimed
CN-113443965-B Method for generating aryl phenol compound by hydrolyzing diaryl ether compound 华东师范大学 2022-09-20 CN disclosed
CN-113443965-A Method for generating aryl phenol compound by hydrolyzing diaryl ether compound 华东师范大学 2021-09-28 CN disclosed
EP-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP disclosed
US-4048160-A Process for preparation of 7-alkoxy-3-bromomethylcephems ELI LILLY AND COMPANY (US) 1977-09-13 US disclosed
US-4048163-A Process for preparation of 7-alkoxy-3-chloromethylcephems ELI LILLY AND COMPANY (US) 1977-09-13 US disclosed
US-4042585-A Process for preparation of 3-halomethylcephems ELI LILLY AND COMPANY (US) 1977-08-16 US disclosed
US-4038275-A PROCESS FOR PREPARATION OF 3-HYDROXYMETHYLCEPHEMS ELI LILLY AND COMPANY (US) 1977-07-26 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 (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-20040254158-A1 Anticoagulants; atherosclerosis; strokes; thrombosis; cardiovascular disorders SERPINC1, PCSK9, PLAT PTGS2 2410/4885TUBB1 3879/4885TRPA1 1517/4885

“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.