SCHEMBL6696782

SCHEMBL6696782

Cc1ccc(-c2ccccc2O)c(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.45
PGR P06401 1/20 0.44
AR P10275 1/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
HPGD P15428 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 2/20 0.40
TSHR P16473 2/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
GPR3 P46089 1/20 0.40
KDR P35968 1/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
ELANE P08246 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL22171634 0.85 HSD11B1 (0.50) PDK2ALOX15HSD17B10POLBTSHR
SCHEMBL28360581 0.84 ALDH1A1 (0.53) PDK2MAOAMAOBHPGDTP53
SCHEMBL10030392 0.83 GLA (0.54) PDK2ARMAOAMAOBPOLB
SCHEMBL26375381 0.81 PDE3B (0.48) PDK2HPGDPOLBTSHRGLA
SCHEMBL5692384 0.79 AR (0.49) PDK2PGRARHPGDTP53
SCHEMBL30689255 0.79 AR (0.49) PDK2PGRARHPGDTP53
SCHEMBL4637120 0.77 AKR1C3 (0.51) PDK2ARAKR1C3AKR1C2HSD11B1
SCHEMBL19413816 0.76 CYP1A2 (0.45) PDK2ARPOLBTSHRGLA
SCHEMBL278789 0.76 GAA (0.47) ARTP53POLBTSHRGLA
SCHEMBL1828915 0.76 TP53 (0.52) MAOAMAOBHPGDTP53ALOX15

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 9 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 claimed
US-20040043993-A1 Biphenyl compounds and their use as oestrogenic agents AVENTIS PHARMA S.A. 2004-03-04 US claimed
US-20020068736-A1 Biphenyl compounds and their use as oestrogenic agents LESUISSE DOMINIQUE (FR) 2002-06-06 US claimed
US-6288126-B1 Biphenyl compounds and use thereof as oestrogenic agents AVENTIS PHARMA S.A. 2001-09-11 US claimed
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 PDK2 2462/4885PGR 28/4885AR 56/4885
US-20040043993-A1 Biphenyl compounds and their use as oestrogenic agents CYP19A1, HSD17B11, GPER1 PDK2 3348/4885PGR 69/4885AR 15/4885

“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.