SCHEMBL6704388

SCHEMBL6704388

CN(C)CCOc1ccc(-c2c(Br)cc(CO)cc2-c2ccc(O)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 15/20 0.47
ESR2 Q92731 5/20 0.43
ESRRG P62508 3/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
MGAM O43451 3/20 0.42
GAA P10253 3/20 0.42
SI P14410 3/20 0.42
MGAM2 Q2M2H8 3/20 0.42
HRH3 Q9Y5N1 1/20 0.42
ESRRB O95718 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL6059272 0.84 ESR1 (0.42) ESR1ESR2ESRRGCHRNB2CHRNA4
SCHEMBL6701790 0.81 ESR1 (0.46) ESR1ESR2ESRRGCHRNB2CHRNA4
SCHEMBL2477011 0.75 ESR1 (0.65) ESR1ESR2ESRRGCHRNB2CHRNA4
SCHEMBL5523932 0.73 ACHE (0.43) ESR1ESR2MGAMGAASI
SCHEMBL7538119 0.73 ESR1 (0.55) ESR1ESR2CHRNB2CHRNA4KDR
SCHEMBL185585 0.72 HRH3 (0.70) ESR1ESR2ESRRGCHRNB2CHRNA4
SCHEMBL8209160 0.72 ESR1 (0.54) ESR1ESR2ESRRGCHRNB2CHRNA4
SCHEMBL5525073 0.72 ACHE (0.33) ESR1ESRRGMGAMGAASI
SCHEMBL5527886 0.70 PTGER2 (0.43) ESR1
SCHEMBL3624812 0.69 MAPT (0.56) CHRNB2CHRNA4HRH3KDM4EALDH1A1

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-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

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 ESR1 2/4885ESR2 1/4885ESRRG 6/4885
US-20040043993-A1 Biphenyl compounds and their use as oestrogenic agents CYP19A1, HSD17B11, GPER1 ESR1 16/4885ESR2 6/4885ESRRG 29/4885

“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.