SCHEMBL6701016

SCHEMBL6701016

COC(=O)c1ccc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
CYP2C9 P11712 3/20 0.64
KDM4E B2RXH2 2/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C19 P33261 1/20 0.64
PTGS2 P35354 1/20 0.59
KMT2A Q03164 2/20 0.55
OPRD1 P41143 1/20 0.54
MAPT P10636 3/20 0.53
MEN1 O00255 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
EGFR P00533 1/20 0.51
BACE1 P56817 1/20 0.49
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
NPSR1 Q6W5P4 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
SCHEMBL26573338 0.87 KDM4E (0.65) CA1CA2CYP2C9KDM4ECYP1A2
SCHEMBL1528983 0.87 CA1 (0.61) CA1CA2CYP2C9KDM4ECYP1A2
SCHEMBL4033042 0.86 KDM4E (0.59) CA1CA2CYP2C9KDM4ECYP1A2
SCHEMBL1528932 0.86 KDM4E (0.59) CA1CA2CYP2C9KDM4ECYP1A2
SCHEMBL6059390 0.85 CA1 (0.63) CA1CA2CYP2C9KDM4ECYP1A2
SCHEMBL6702060 0.85 CA1 (0.63) CA1CA2CYP2C9KDM4ECYP1A2
SCHEMBL10458005 0.83 PTGS2 (0.76) CA1CA2PTGS2KMT2AMAPT
SCHEMBL29663125 0.82 CA1 (0.54) CA1CA2CYP2C9KDM4ECYP1A2
SCHEMBL15920972 0.82 KDM4E (0.55) CA1CA2CYP2C9KDM4ECYP1A2
SCHEMBL30877906 0.82 CA1 (0.54) CA1CA2CYP2C9KDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6794415-B2 Biphenyl compounds and their use as oestrogenic agents AVENTIS PHARMA S.A. (FR) 2004-09-21 US disclosed
US-20040043993-A1 Biphenyl compounds and their use as oestrogenic agents AVENTIS PHARMA S.A. 2004-03-04 US disclosed
US-6563008-B2 Treatment of disorders linked to hypofolliculinemia and of certain estrogen-dependent pathologies such as prostatic adenomas or carcinomas, and of benign tumours of the breast AVENTIS PHARMA S.A. (FR) 2003-05-13 US disclosed
US-20020068736-A1 Biphenyl compounds and their use as oestrogenic agents LESUISSE DOMINIQUE (FR) 2002-06-06 US disclosed
US-6288126-B1 Biphenyl compounds and use thereof as oestrogenic agents AVENTIS PHARMA S.A. 2001-09-11 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 (2 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-20020068736-A1 Biphenyl compounds and their use as oestrogenic agents ESR2, ESR1, CYP19A1 CA1 3614/4885CA2 4562/4885CYP2C9 120/4885
US-20040043993-A1 Biphenyl compounds and their use as oestrogenic agents CYP19A1, HSD17B11, GPER1 CA1 1198/4885CA2 1881/4885CYP2C9 175/4885

“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.