SCHEMBL6058629

SCHEMBL6058629

O=Cc1cc(Br)c(-c2ccc(O)cc2)c(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH5A1 P51649 1/20 0.50
ABAT P80404 1/20 0.50
TRPA1 O75762 1/20 0.44
NPC1 O15118 1/20 0.42
MTOR P42345 1/20 0.42
ESR1 P03372 5/20 0.38
ESR2 Q92731 4/20 0.38
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37

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
SCHEMBL27521427 0.77 ALOX15 (0.48) NPC1MTORESR1ESR2MMP2
SCHEMBL6702064 0.77 ALDH5A1 (0.50) ALDH5A1ABATESR1ESR2MMP2
SCHEMBL6701424 0.77 ALDH5A1 (0.50) ALDH5A1ABATESR1ESR2MMP2
SCHEMBL6058799 0.77 ALDH1A1 (0.55) NPC1HDAC3HDAC4HDAC1HDAC7
SCHEMBL27713132 0.74 ALOX15 (0.44) ESR1ESR2SENP1APPABL1
SCHEMBL10665173 0.72 ESR2 (0.46) NPC1ESR1ESR2SENP1RAB9A
SCHEMBL4445918 0.72 ALDH5A1 (0.84) ALDH5A1ABATESR1ESR2MMP3
SCHEMBL21908191 0.72 ALDH5A1 (0.84) ALDH5A1ABATESR1ESR2MMP3
SCHEMBL373244 0.72 ERN1 (0.52) TRPA1KDM4EPTGS2RAB9AERN1
SCHEMBL5523932 0.71 ACHE (0.43) ESR1ESR2MMP2MMP3SENP1

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
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

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 ALDH5A1 986/4885ABAT 2533/4885TRPA1 4183/4885
US-20040043993-A1 Biphenyl compounds and their use as oestrogenic agents CYP19A1, HSD17B11, GPER1 ALDH5A1 571/4885ABAT 1040/4885TRPA1 3056/4885

“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.