SCHEMBL6058812

SCHEMBL6058812

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

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.42
MAPT P10636 4/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 2/20 0.39
ABCB1 P08183 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
ACHE P22303 1/20 0.36

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
SCHEMBL6058574 0.90 TDP1 (0.42) BACE1MAPTALDH1A1POLBABCB1
SCHEMBL5528639 0.90 BACE1 (0.38) BACE1MAPTALDH1A1POLBABCB1
SCHEMBL27815805 0.81 GPR35 (0.52) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL6058698 0.80 BACE1 (0.34) BACE1MAPTALDH1A1POLBABCB1
SCHEMBL27376059 0.77 GPR35 (0.57) MAPTALDH1A1CRHBPCRHR2MEN1
SCHEMBL6701790 0.76 ESR1 (0.46) ESR1ESR2GAA
SCHEMBL9812448 0.76 GPR35 (0.57) MAPTALDH1A1CRHBPCRHR2MEN1
SCHEMBL6910913 0.75 MAPT (0.51) BACE1MAPTALDH1A1POLBABCB1
SCHEMBL8214082 0.72 ALDH1A1 (0.44) MAPTALDH1A1POLBMAPK1ACHE
SCHEMBL27330816 0.72 CTSB (0.49) 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 13 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 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
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-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 (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 BACE1 1661/4885MAPT 4496/4885ALDH1A1 381/4885
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.