SCHEMBL1047261

SCHEMBL1047261

COc1ccc(-c2ccc(C)cc2)c(OC)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 3/20 0.65
CYP1B1 Q16678 3/20 0.65
CYP1A2 P05177 1/20 0.65
CYP2E1 P05181 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2C8 P10632 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2A6 P11509 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP4B1 P13584 1/20 0.65
CYP2B6 P20813 1/20 0.65
CYP3A5 P20815 1/20 0.65
CYP2A7 P20853 1/20 0.65
CYP3A7 P24462 1/20 0.65
CYP2F1 P24903 1/20 0.65
CYP2C18 P33260 1/20 0.65
CYP2C19 P33261 1/20 0.65
CYP2J2 P51589 1/20 0.65
CYP4F2 P78329 1/20 0.65
CYP4F8 P98187 1/20 0.65

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
SCHEMBL17599105 0.90 CYP1A1 (0.71) CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4
SCHEMBL26710974 0.86 CYP1A1 (0.62) CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4
SCHEMBL10137021 0.86 ACHE (0.58) CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4
SCHEMBL1045967 0.85 ACHE (0.52) CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4
SCHEMBL2096959 0.83 CYP1A1 (0.62) CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4
SCHEMBL10169411 0.83 CYP1A1 (0.62) CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4
SCHEMBL7218648 0.83 CYP3A4 (0.62) CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4
SCHEMBL8563139 0.83 CYP1A1 (0.62) CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4
SCHEMBL7143439 0.83 CYP3A4 (0.62) CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4
SCHEMBL5632975 0.82 CYP1A1 (0.79) CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMA CO LTD (JP) 2015-08-13 US disclosed
US-8987304-B2 Antituberculous composition comprising oxazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-03-24 US disclosed
US-8791104-B2 1,4-benzodiazepine-2,5-diones with therapeutic properties THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-07-29 US disclosed
US-20130261110-A1 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-10-03 US disclosed
EP-2269694-A2 Antituberculous composition comprising oxazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-01-05 EP disclosed
US-20100216789-A1 RHO-KINASE INHIBITORS NAGARATHNAM DHANAPALAN 2010-08-26 US disclosed
US-20100216789-A1 RHO-KINASE INHIBITORS NAGARATHNAM DHANAPALAN 2010-08-26 US disclosed
US-7648986-B2 Substituted thieno[3,2-D]pyrimidines as Rho kinase inhibitors BAYER HEALTHCARE LLC (US) 2010-01-19 US disclosed
US-7648986-B2 Substituted thieno[3,2-D]pyrimidines as Rho kinase inhibitors BAYER HEALTHCARE LLC (US) 2010-01-19 US disclosed
US-20090275528-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-11-05 US disclosed
EP-1465900-B1 RHO-KINASE INHIBITORS BAYER HEALTHCARE AG (DE) 2008-05-14 EP disclosed
US-20070238741-A1 Hypertension, atherosclerosis, restenosis, cerebral ischemia, cerebral vasospasm, or erectile dysfunction; 2-(5-chloro-2-thienyl)-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-10-11 US disclosed
US-20070238741-A1 Hypertension, atherosclerosis, restenosis, cerebral ischemia, cerebral vasospasm, or erectile dysfunction; 2-(5-chloro-2-thienyl)-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-10-11 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 (5 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-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CYP1A1 276/4885CYP1B1 201/4885CYP1A2 135/4885
US-20090275528-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CYP1A1 276/4885CYP1B1 201/4885CYP1A2 135/4885
US-20130261110-A1 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES BAD, GABRA5, GABRB1 CYP1A1 996/4885CYP1B1 384/4885CYP1A2 755/4885
US-20100216789-A1 RHO-KINASE INHIBITORS CIT, ROCK1, ROCK2 CYP1A1 3058/4885CYP1B1 1761/4885CYP1A2 1879/4885
US-20070238741-A1 Hypertension, atherosclerosis, restenosis, cerebral ischemia, cerebral vasospasm, or erectile dysfunction; 2-(5-chloro-2-thienyl)-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine CIT, PTGIS, PTGIR CYP1A1 2516/4885CYP1B1 1495/4885CYP1A2 1340/4885

“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.