SCHEMBL6059000

SCHEMBL6059000

OCc1cc(F)c(-c2ccc(O)cc2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.47
ESR2 Q92731 4/20 0.47
ACHE P22303 1/20 0.43
RPS6KA3 P51812 2/20 0.40
KIF11 P52732 2/20 0.40
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
SENP1 Q9P0U3 1/20 0.38
GYS1 P13807 1/20 0.37
FGFR1 P11362 1/20 0.37
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
ABL1 P00519 1/20 0.37
ABCB1 P08183 1/20 0.37
BCR P11274 1/20 0.37
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36

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
SCHEMBL28374796 0.81 ESR1 (0.67) ESR1ESR2RPS6KA3KIF11SENP1
SCHEMBL16982125 0.81 ESR1 (0.67) ESR1ESR2RPS6KA3KIF11SENP1
SCHEMBL28985505 0.79 ESR1 (0.53) ESR1ESR2RPS6KA3KIF11SENP1
SCHEMBL28086881 0.77 ESR1 (0.52) ESR1ESR2RPS6KA3KIF11SENP1
SCHEMBL5523932 0.76 ACHE (0.43) ESR1ESR2ACHEMMP2MMP3
SCHEMBL5527905 0.76 ACHE (0.43) ESR1ESR2ACHEMMP2MMP3
SCHEMBL6058544 0.76 GSTP1 (0.55) MGAMGAASIMGAM2
SCHEMBL16585053 0.75 FFAR4 (0.42) KIF11ABL1
SCHEMBL16080734 0.75 KIF11 (0.38) ACHEKIF11
SCHEMBL6058633 0.72 MGAM (0.60) MGAMGAASIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0877607-B1 BIPHENYL COMPOUNDS AND USE THEREOF AS OESTROGENIC AGENTS AVENTIS PHARMA SA (FR) 2006-11-15 EP disclosed
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
EP-0877607-A1 BIPHENYL COMPOUNDS AND USE THEREOF AS OESTROGENIC AGENTS HOECHST MARION ROUSSEL (FR) 1998-11-18 EP disclosed
WO-1997027846-A1 BIPHENYL COMPOUNDS AND USE THEREOF AS OESTROGENIC AGENTS HOECHST MARION ROUSSEL (FR) 1997-08-07 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 (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 1/4885ACHE 1222/4885
US-20040043993-A1 Biphenyl compounds and their use as oestrogenic agents CYP19A1, HSD17B11, GPER1 ESR1 16/4885ESR2 6/4885ACHE 159/4885

“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.