SCHEMBL5531079

SCHEMBL5531079

OCc1cc(Br)c(-c2ccc(O)cc2)c(-n2cccc2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VHL P40337 1/20 0.37
ELOC Q15369 1/20 0.37
ELOB Q15370 1/20 0.37
ESR1 P03372 2/20 0.32
ESR2 Q92731 1/20 0.32
ACHE P22303 1/20 0.32
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
SENP1 Q9P0U3 2/20 0.31
UCHL1 P09936 1/20 0.31
USP5 P45974 1/20 0.31
USP4 Q13107 1/20 0.31
FGFR1 P11362 1/20 0.30
ABL1 P00519 1/20 0.30
ABCB1 P08183 1/20 0.30
BCR P11274 1/20 0.30
BAZ2B Q9UIF8 1/20 0.30
BAZ2A Q9UIF9 1/20 0.30

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
SCHEMBL5523932 0.81 ACHE (0.43) ESR1ESR2ACHEMGAMGAA
SCHEMBL6058489 0.75 ACHE (0.38) ESR1ESR2ACHEMGAMGAA
SCHEMBL6059195 0.74 USP7 (0.37) ESR1ESR2ACHESENP1
Phenol SCHEMBL7160743 0.74 MMP3 (0.37) ESR1ESR2ACHEMGAMGAA
SCHEMBL6059279 0.71 ESR1 (0.34) ESR1ESR2ACHEMGAMGAA
SCHEMBL5525073 0.71 ACHE (0.33) ESR1ACHEMGAMGAASI
SCHEMBL5527886 0.69 PTGER2 (0.43) ESR1
SCHEMBL5528639 0.69 BACE1 (0.38) ESR1ESR2GAAABCB1MEN1
SCHEMBL5527905 0.64 ACHE (0.43) ESR1ESR2ACHEMGAMGAA
SCHEMBL6059000 0.64 ESR1 (0.47) ESR1ESR2ACHEMGAMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249706-A1 USE OF CERTAIN BIPHENYL COMPOUNDS FOR PROTECTION OF NEURONS AND OLIGODENDROCYTES IN THE TREATMENT OF MULTIPLE SCLEROSIS (MS) AVENTIS PHARMACEUTICALS INC. (US) 2007-10-25 US claimed
EP-1833472-A2 USE OF CERTAIN BIPHENYL COMPOUNDS FOR PROTECTION OF NEURONS AND OLIGODENDROCYTES IN THE TREATMENT OF MULTIPLE SCLEROSIS (MS) Aventis Pharmaceuticals Inc. (US) 2007-09-19 EP claimed
WO-2006073726-A2 USE OF CERTAIN BIPHENYL COMPOUNDS FOR PROTECTION OF NEURONS AND OLIGODENDROCYTES IN THE TREATMENT OF MULTIPLE SCLEROSIS (MS) AVENTIS PHARMACEUTICALS INC. (US) 2006-07-13 WO claimed
US-20070249706-A1 USE OF CERTAIN BIPHENYL COMPOUNDS FOR PROTECTION OF NEURONS AND OLIGODENDROCYTES IN THE TREATMENT OF MULTIPLE SCLEROSIS (MS) AVENTIS PHARMACEUTICALS INC. (US) 2007-10-25 US disclosed
US-20070249706-A1 USE OF CERTAIN BIPHENYL COMPOUNDS FOR PROTECTION OF NEURONS AND OLIGODENDROCYTES IN THE TREATMENT OF MULTIPLE SCLEROSIS (MS) AVENTIS PHARMACEUTICALS INC. (US) 2007-10-25 US disclosed
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 (3 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 VHL 307/4885ELOC 1969/4885ELOB 289/4885
US-20070249706-A1 USE OF CERTAIN BIPHENYL COMPOUNDS FOR PROTECTION OF NEURONS AND OLIGODENDROCYTES IN THE TREATMENT OF MULTIPLE SCLEROSIS (MS) MSR1, GMFG, PMP22 VHL 2030/4885ELOC 2405/4885ELOB 338/4885
US-20040043993-A1 Biphenyl compounds and their use as oestrogenic agents CYP19A1, HSD17B11, GPER1 VHL 1953/4885ELOC 2235/4885ELOB 1687/4885

“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.