SCHEMBL6701790

SCHEMBL6701790

CN(C)CCOc1ccc(-c2c(-c3ccc(O)cc3)cc(CO)cc2[N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 16/20 0.46
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
ESR2 Q92731 5/20 0.40
KDR P35968 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.39
ESRRG P62508 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
SCHEMBL6704388 0.81 ESR1 (0.47) ESR1CHRNB2CHRNA4KDM4EGAA
SCHEMBL6058812 0.76 BACE1 (0.42) ESR1GAAESR2
SCHEMBL6058698 0.72 BACE1 (0.34) KDM4E
SCHEMBL6058574 0.71 TDP1 (0.42) KDM4EGAA
SCHEMBL5528639 0.71 BACE1 (0.38) ESR1GAAESR2
SCHEMBL2477011 0.71 ESR1 (0.65) ESR1CHRNB2CHRNA4KDM4EESR2
SCHEMBL6059272 0.69 ESR1 (0.42) ESR1CHRNB2CHRNA4KDM4EESR2
SCHEMBL7538119 0.69 ESR1 (0.55) ESR1CHRNB2CHRNA4ESR2KDR
SCHEMBL185585 0.68 HRH3 (0.70) ESR1CHRNB2CHRNA4KDM4EESR2
SCHEMBL8209160 0.68 ESR1 (0.54) ESR1CHRNB2CHRNA4KDM4EESR2

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 6 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-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

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 2/4885CHRNB2 1633/4885CHRNA4 1376/4885
US-20040043993-A1 Biphenyl compounds and their use as oestrogenic agents CYP19A1, HSD17B11, GPER1 ESR1 16/4885CHRNB2 309/4885CHRNA4 235/4885

“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.