SCHEMBL6059698

SCHEMBL6059698

O=Cc1ccc(-c2ccc(OCc3ccccc3)cc2)c(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 2/20 0.53
MAOA P21397 3/20 0.52
MAOB P27338 3/20 0.52
RAB9A P51151 2/20 0.47
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
FFAR1 O14842 1/20 0.45
TOP1 P11387 1/20 0.45
GRM5 P41594 1/20 0.45
AR P10275 1/20 0.45
FFAR4 Q5NUL3 1/20 0.44
LCK P06239 1/20 0.44
BACE1 P56817 2/20 0.43
GSK3B P49841 1/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
KCNA3 P22001 1/20 0.43
PTPN1 P18031 1/20 0.43
NPC1 O15118 1/20 0.42

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
SCHEMBL6111703 0.81 AKR1C3 (0.55) AKR1C3AKR1C2GRM5NPC1
SCHEMBL3956772 0.79 MAOA (0.52) MAOAMAOBRAB9AGSK3BRXRA
SCHEMBL12578150 0.79 MAOB (0.50) MAOAMAOBRAB9AFFAR1GRM5
SCHEMBL6187222 0.78 RAB9A (0.62) GSTP1MAOAMAOBRAB9AFFAR1
SCHEMBL29558755 0.78 RXRA (0.63) MAOAMAOBARBACE1RXRA
SCHEMBL158270 0.77 RAB9A (0.68) MAOAMAOBRAB9ALCKBACE1
SCHEMBL865349 0.75 RAB9A (0.71) MAOAMAOBRAB9AFFAR1FFAR4
SCHEMBL8083057 0.75 MAOB (0.55) GSTP1MAOAMAOBRAB9ATOP1
SCHEMBL2807881 0.75 MAOA (0.70) GSTP1MAOAMAOBRAB9AFFAR1
SCHEMBL3163377 0.74 RAB9A (0.46) GSTP1MAOAMAOBRAB9AAR

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 12 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-0757982-B1 Biphenylic compounds, process for their preparations and intermediates for this process, their use as 5-alpha-reductase inhibitors and pharmaceutical compositions containing them HOECHST MARION ROUSSEL INC (FR) 2000-09-20 EP disclosed
US-5965763-A Biphenyl compounds HOECHST MARION ROUSSEL (FR) 1999-10-12 US disclosed
EP-0877607-A1 BIPHENYL COMPOUNDS AND USE THEREOF AS OESTROGENIC AGENTS HOECHST MARION ROUSSEL (FR) 1998-11-18 EP disclosed
US-5827887-A 5-ALPHA REDUCTASE INHIBITORS ROUSSEL UCLAF (FR) 1998-10-27 US disclosed
WO-1997027846-A1 BIPHENYL COMPOUNDS AND USE THEREOF AS OESTROGENIC AGENTS HOECHST MARION ROUSSEL (FR) 1997-08-07 WO disclosed
EP-0757982-A1 Biphenylic compounds, process for their preparations and intermediates for this process, their use as 5-alpha-reductase inhibitors and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1997-02-12 EP 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 GSTP1 564/4885MAOA 1209/4885MAOB 507/4885
US-20040043993-A1 Biphenyl compounds and their use as oestrogenic agents CYP19A1, HSD17B11, GPER1 GSTP1 389/4885MAOA 433/4885MAOB 419/4885

“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.