SCHEMBL1012043

SCHEMBL1012043

CCCCc1ccc[c]c1OC

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.42
PTGS2 P35354 2/20 0.42
PPARA Q07869 1/20 0.38
LIPG Q9Y5X9 1/20 0.36
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
ELANE P08246 1/20 0.33
CTSG P08311 1/20 0.33
TYR P14679 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL6504160 0.89 HMGCR (0.35) ALOX5PTGS2PPARAELANE
SCHEMBL4073818 0.87 TAAR1 (0.35) ALOX5PTGS2
SCHEMBL4450766 0.85 ALOX5 (0.38) ALOX5PTGS2PPARALIPGCYP3A4
SCHEMBL8200917 0.84 LIPG (0.35) ALOX5PTGS2PPARALIPGCYP3A4
SCHEMBL455800 0.81 GABRA1 (0.37) CYP2D6
SCHEMBL983439 0.80 LTA4H (0.45) LIPGCYP3A4CYP2D6CYP2C9
SCHEMBL3363963 0.80 TAAR1 (0.52)
SCHEMBL6048335 0.80 LIPG (0.43) ALOX5PTGS2PPARALIPGELANE
SCHEMBL5207891 0.79 TAAR1 (0.30)
SCHEMBL10659939 0.78 LIPG (0.44) ALOX5PTGS2PPARALIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120009150-A1 DIARYL UREAS FOR TREATING VIRUS INFECTIONS WEBER OLAF (DE) 2012-01-12 US claimed
US-20110263657-A1 DIARYL UREAS FOR TREATING HEART FAILURE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-10-27 US claimed
US-20110158942-A1 DIARYL UREAS FOR TREATING VIRUS INFECTIONS WEBER OLAF 2011-06-30 US claimed
EP-2338488-A1 Drug combinations with substituted diaryl ureas for the treatment of cancer Bayer HealthCare, LLC (US) 2011-06-29 EP claimed
EP-2293792-A1 DIARYL UREAS FOR TREATING HEART FAILURE Bayer Schering Pharma Aktiengesellschaft (DE) 2011-03-16 EP claimed
EP-1948176-B1 DIARYL UREAS FOR TREATING PULMONARY HYPERTENSION BAYER SCHERING PHARMA AG (DE) 2011-01-05 EP claimed
WO-2009156089-A1 DIARYL UREAS FOR TREATING HEART FAILURE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-12-30 WO claimed
US-20090306020-A1 Combination therapy comprising diaryl ureas for treating diseases BAYER HEALTHCARE AG (DE) 2009-12-10 US claimed
US-20090227637-A1 DIARYL UREAS FOR TREATING VIRUS INFECTIONS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-09-10 US claimed
EP-2094268-A2 DRUG COMBINATIONS WITH SUBSTITUTED DIARYL UREAS FOR THE TREATMENT OF CANCER Bayer HealthCare, LLC (US) 2009-09-02 EP claimed
US-20010034447-A1 Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BAYER HEALTHCARE LLC 2001-10-25 US claimed
EP-1140840-A1 -G(V)-CARBOXYARYL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS Bayer Corporation (US) 2001-10-10 EP claimed
US-20010027202-A1 Omega-carboxyaryl substituted disphenyl ureas as raf kinase inhibitors BAYER HEALTHCARE LLC 2001-10-04 US claimed
US-20010016659-A1 Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BAYER HEALTHCARE LLC 2001-08-23 US claimed
US-20010011135-A1 Omega-carboxyaryl subsituted diphenyl ureas as raf kinase inhibitors BAYER HEALTHCARE LLC 2001-08-02 US claimed
US-20010011136-A1 omega-carboxyyaryl substituted diphenyl ureas as raf kinase inhibitors BAYER HEALTHCARE LLC 2001-08-02 US claimed
JP-2001501910-A 2001-02-13 JP claimed
EP-1021388-A1 PHOSPHORYLATION PROCESS AND CATALYST PERSTORP AB (SE) 2000-07-26 EP claimed
WO-2000042012-A1 φ-CARBOXYARYL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BAYER CORPORATION (US) 2000-07-20 WO claimed
WO-1997034853-A1 PHOSPHORYLATION PROCESS AND CATALYST PERSTORP AB (SE) 1997-09-25 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 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-20090306020-A1 Combination therapy comprising diaryl ureas for treating diseases CDK6, UBA6, CHUK ALOX5 4012/4885PTGS2 2290/4885PPARA 4225/4885
US-20120009150-A1 DIARYL UREAS FOR TREATING VIRUS INFECTIONS UBA6, MCM6, UBQLN1 ALOX5 4382/4885PTGS2 3892/4885PPARA 4392/4885
US-20010011135-A1 Omega-carboxyaryl subsituted diphenyl ureas as raf kinase inhibitors BRAF, RAF1, ARAF ALOX5 420/4885PTGS2 1698/4885PPARA 1023/4885
US-20010011136-A1 omega-carboxyyaryl substituted diphenyl ureas as raf kinase inhibitors BRAF, ARAF, RAF1 ALOX5 290/4885PTGS2 1954/4885PPARA 1059/4885
US-20010034447-A1 Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BRAF, RAF1, ARAF ALOX5 255/4885PTGS2 1563/4885PPARA 595/4885
US-20010016659-A1 Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BRAF, RAF1, ARAF ALOX5 255/4885PTGS2 1563/4885PPARA 595/4885
US-20090227637-A1 DIARYL UREAS FOR TREATING VIRUS INFECTIONS UBA6, MCM6, UBQLN1 ALOX5 4382/4885PTGS2 3892/4885PPARA 4392/4885
US-20110263657-A1 DIARYL UREAS FOR TREATING HEART FAILURE UBA6, UBQLN1, UHRF1 ALOX5 2825/4885PTGS2 1439/4885PPARA 4038/4885
US-20010027202-A1 Omega-carboxyaryl substituted disphenyl ureas as raf kinase inhibitors BRAF, NRAS, ARAF ALOX5 439/4885PTGS2 1549/4885PPARA 1395/4885
US-20110158942-A1 DIARYL UREAS FOR TREATING VIRUS INFECTIONS UBA6, MCM6, UBQLN1 ALOX5 4382/4885PTGS2 3892/4885PPARA 4392/4885

“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.