SCHEMBL5528639

SCHEMBL5528639

O=[N+]([O-])c1cc(CO)cc(Br)c1-c1ccc(O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.38
MAPT P10636 4/20 0.36
ALDH1A1 P00352 1/20 0.36
ABCB1 P08183 1/20 0.36
POLB P06746 1/20 0.35
S100A4 P26447 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MITF O75030 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL6058812 0.90 BACE1 (0.42) BACE1MAPTALDH1A1ABCB1POLB
SCHEMBL6058574 0.83 TDP1 (0.42) BACE1MAPTALDH1A1ABCB1POLB
SCHEMBL5523932 0.81 ACHE (0.43) ABCB1ESR1ESR2MEN1GAA
SCHEMBL6059124 0.77 CASP6 (0.47) ALDH1A1
SCHEMBL6058489 0.75 ACHE (0.38) ABCB1ESR1ESR2MEN1GAA
SCHEMBL6059195 0.74 USP7 (0.37) ESR1ESR2
SCHEMBL6058698 0.74 BACE1 (0.34) BACE1MAPTALDH1A1ABCB1POLB
SCHEMBL6698935 0.73 ERN1 (0.46) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL28419966 0.72 ALDH1A1 (0.38) MAPTALDH1A1POLBPKMMAPK1
SCHEMBL27655697 0.72 AAK1 (0.40) MAPTALDH1A1ESR1ESR2CRHBP

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-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-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
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 BACE1 1661/4885MAPT 4496/4885ALDH1A1 381/4885
US-20070249706-A1 USE OF CERTAIN BIPHENYL COMPOUNDS FOR PROTECTION OF NEURONS AND OLIGODENDROCYTES IN THE TREATMENT OF MULTIPLE SCLEROSIS (MS) MSR1, GMFG, PMP22 BACE1 800/4885MAPT 2479/4885ALDH1A1 500/4885
US-20040043993-A1 Biphenyl compounds and their use as oestrogenic agents CYP19A1, HSD17B11, GPER1 BACE1 677/4885MAPT 4418/4885ALDH1A1 272/4885

“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.