SCHEMBL6035274

SCHEMBL6035274

COC(=O)C(C)(C)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.55
MAOB P27338 2/20 0.55
NR4A2 P43354 3/20 0.54
PKM P14618 2/20 0.53
SMPD1 P17405 1/20 0.52
NR4A1 P22736 1/20 0.52
NR4A3 Q92570 1/20 0.52
PDK1 Q15118 1/20 0.52
PDK2 Q15119 1/20 0.52
PDK3 Q15120 1/20 0.52
PDK4 Q16654 1/20 0.52
MRGPRX4 Q96LA9 2/20 0.51
PTPN1 P18031 1/20 0.50
GPR132 Q9UNW8 1/20 0.48
SPHK2 Q9NRA0 1/20 0.48
SPHK1 Q9NYA1 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
SRD5A2 P31213 1/20 0.48

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
SCHEMBL2240019 0.88 PDK1 (0.54) CACNA1BMAOBNR4A2PKMSMPD1
SCHEMBL9084746 0.88 PKM (0.55) CACNA1BMAOBNR4A2PKMSMPD1
SCHEMBL6036145 0.87 PKM (0.60) CACNA1BMAOBNR4A2PKMSMPD1
SCHEMBL9325937 0.87 ALOX5 (0.57) MRGPRX4
SCHEMBL19770149 0.85 CACNA1B (0.54) CACNA1BMAOBNR4A2PKMSMPD1
SCHEMBL9087283 0.85 CACNA1B (0.51) CACNA1BMAOBNR4A2PKMSMPD1
SCHEMBL4677286 0.85 NPC1 (0.57) MAOBNR4A2NR4A1NR4A3KDM4E
SCHEMBL2848176 0.83 MAOB (0.51) CACNA1BMAOBNR4A2PKMSMPD1
SCHEMBL30768512 0.82 MAOB (0.50) CACNA1BMAOBNR4A2PKMSMPD1
SCHEMBL5105721 0.81 KCNN4 (0.50) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-06 US disclosed
EP-1513817-A1 1, 2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Pharmaceutical Company Limited (JP) 2005-03-16 EP disclosed
WO-2003099793-A9 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL (JP) 2005-02-10 WO disclosed
WO-2003099793-A1 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-12-04 WO 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-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity GPR119, SLC5A1, CYP4B1 CACNA1B 2517/4885MAOB 954/4885NR4A2 369/4885

“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.