SCHEMBL6239769

SCHEMBL6239769

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.60
CYP1A2 P05177 3/20 0.56
CYP1A1 P04798 2/20 0.56
CYP2D6 P10635 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP1B1 Q16678 2/20 0.56
CYP2E1 P05181 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C8 P10632 1/20 0.56
CYP2A6 P11509 1/20 0.56
CYP4B1 P13584 1/20 0.56
CYP2B6 P20813 1/20 0.56
CYP3A5 P20815 1/20 0.56
CYP2A7 P20853 1/20 0.56
CYP3A7 P24462 1/20 0.56
CYP2F1 P24903 1/20 0.56
CYP2C18 P33260 1/20 0.56
CYP2J2 P51589 1/20 0.56
CYP4F2 P78329 1/20 0.56

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
SCHEMBL12900885 0.88 LMNA (0.52) KMT2ACYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL8307066 0.87 KMT2A (0.56) KMT2AMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL6642702 0.86 CYP1A2 (0.54) CYP1A2CYP1A1CYP2D6CYP2C9CYP2C19
SCHEMBL12836646 0.86 CA1 (0.61) KMT2ACYP1A2CYP1A1CYP2D6CYP2C9
SCHEMBL4085836 0.84 HSD17B1 (0.64) KMT2ACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2560248 0.84 CA12 (0.59) KDM4EMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL5944300 0.83 CA1 (0.63) CYP1A2CYP1A1CYP2D6CYP2C9CYP2C19
SCHEMBL10922062 0.83 CYP2C19 (0.55) KMT2ACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL17599105 0.82 CYP1A1 (0.71) CYP1A2CYP1A1CYP2D6CYP2C9CYP2C19
SCHEMBL18800722 0.82 NPC1 (0.54) KMT2ACYP1A2CYP1A1CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043381-A1 Aminopyrazole compounds AGOURON PHARMACEUTICALS, INC. 2005-02-24 US disclosed
WO-2005009435-A1 AMINOPYRAZOLE COMPOUNDS AND USE AS CHK1 INHIBITORS PFIZER INC. (US) 2005-02-03 WO disclosed
US-5972959-A Oxime derivatives, their preparation and their therapeutic use SANKYO COMPANY, LIMITED (JP) 1999-10-26 US disclosed
EP-0708098-B1 Oxime derivatives, their preparation and their therapeutic use SANKYO CO (JP) 1999-03-03 EP disclosed
US-5780490-A A O-(2,4-OXA(OR THIA)ZOLIDINYL)PHENYLOXY(OR THIO OR AMINO) ALKYLOXIME; ALDOSE REDUCTASE INHIBITORS; ANTIDIABETIC AND -HYPOGLYCEMIC AGENTS; LIVER, SKIN AND UROGENITAL DISORDERS SANKYO COMPANY, LIMITED (JP) 1998-07-14 US disclosed
US-5703096-A ANTIDIABETIC AGENTS; ALDOSE REDUCTASE INHIBITOR SANKYO COMPANY, LIMITED (JP) 1997-12-30 US disclosed
EP-0708098-A1 Oxime derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1996-04-24 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 (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-20050043381-A1 Aminopyrazole compounds CDK1, CDK3, BUB1B KMT2A 752/4885CYP1A2 1566/4885CYP1A1 1672/4885

“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.