SCHEMBL5523932

SCHEMBL5523932

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.43
ESR1 P03372 8/20 0.39
ESR2 Q92731 6/20 0.39
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
SENP1 Q9P0U3 1/20 0.38
ABL1 P00519 2/20 0.37
ABCB1 P08183 2/20 0.37
BCR P11274 2/20 0.37
MGAM O43451 2/20 0.36
GAA P10253 2/20 0.36
SI P14410 2/20 0.36
MGAM2 Q2M2H8 2/20 0.36
ALOX15 P16050 1/20 0.36
CA2 P00918 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ESRRB O95718 1/20 0.35
ESRRA P11474 1/20 0.35

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
SCHEMBL6058489 0.89 ACHE (0.38) ACHEESR1ESR2MMP2MMP3
SCHEMBL6059195 0.88 USP7 (0.37) ACHEESR1ESR2MMP2MMP3
SCHEMBL5525073 0.84 ACHE (0.33) ACHEESR1MMP2MMP3SENP1
SCHEMBL6059279 0.84 ESR1 (0.34) ACHEESR1ESR2MMP2MMP3
Phenol SCHEMBL7160743 0.84 MMP3 (0.37) ACHEESR1ESR2MMP3SENP1
SCHEMBL5531079 0.81 VHL (0.37) ACHEESR1ESR2SENP1ABL1
SCHEMBL5528639 0.81 BACE1 (0.38) ESR1ESR2ABCB1GAAMEN1
SCHEMBL27637445 0.79 USP7 (0.41) ACHEESR1ESR2SENP1MGAM
SCHEMBL5527886 0.79 PTGER2 (0.43) ESR1MMP2MMP3
SCHEMBL27521427 0.79 ALOX15 (0.48) 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 19 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-0877607-B1 BIPHENYL COMPOUNDS AND USE THEREOF AS OESTROGENIC AGENTS AVENTIS PHARMA SA (FR) 2006-11-15 EP claimed
US-6794415-B2 Biphenyl compounds and their use as oestrogenic agents AVENTIS PHARMA S.A. (FR) 2004-09-21 US claimed
US-20040043993-A1 Biphenyl compounds and their use as oestrogenic agents AVENTIS PHARMA S.A. 2004-03-04 US claimed
US-20020068736-A1 Biphenyl compounds and their use as oestrogenic agents LESUISSE DOMINIQUE (FR) 2002-06-06 US claimed
US-6288126-B1 Biphenyl compounds and use thereof as oestrogenic agents AVENTIS PHARMA S.A. 2001-09-11 US 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
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-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 disclosed
EP-0877607-B1 BIPHENYL COMPOUNDS AND USE THEREOF AS OESTROGENIC AGENTS AVENTIS PHARMA SA (FR) 2006-11-15 EP disclosed
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 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 (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 ACHE 1222/4885ESR1 2/4885ESR2 1/4885
US-20070249706-A1 USE OF CERTAIN BIPHENYL COMPOUNDS FOR PROTECTION OF NEURONS AND OLIGODENDROCYTES IN THE TREATMENT OF MULTIPLE SCLEROSIS (MS) MSR1, GMFG, PMP22 ACHE 245/4885ESR1 2605/4885ESR2 186/4885
US-20040043993-A1 Biphenyl compounds and their use as oestrogenic agents CYP19A1, HSD17B11, GPER1 ACHE 159/4885ESR1 16/4885ESR2 6/4885

“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.