SCHEMBL6058574

SCHEMBL6058574

Nc1cc(CO)cc([N+](=O)[O-])c1-c1ccc(O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 2/20 0.42
BACE1 P56817 3/20 0.38
ALOX15 P16050 2/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 3/20 0.36
GPR35 Q9HC97 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36
ATM Q13315 1/20 0.36
ABCB1 P08183 1/20 0.36
CYP3A4 P08684 2/20 0.36
TSHR P16473 1/20 0.36
PSMD14 O00487 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
SCHEMBL6058812 0.90 BACE1 (0.42) TDP1MAPTMEN1KMT2APOLB
SCHEMBL5528639 0.83 BACE1 (0.38) TDP1MAPTMEN1KMT2APOLB
SCHEMBL28128897 0.81 GPR35 (0.58) TDP1MAPTMEN1KMT2APOLB
SCHEMBL6059195 0.74 USP7 (0.37)
SCHEMBL6058698 0.74 BACE1 (0.34) TDP1MAPTPOLBBACE1ALDH1A1
SCHEMBL1372762 0.73 GPR35 (0.40) TDP1MAPTMEN1KMT2APOLB
SCHEMBL4588943 0.72 TDP1 (0.58) TDP1MAPTMEN1KMT2APOLB
SCHEMBL27815805 0.72 GPR35 (0.52) TDP1MAPTMEN1KMT2APOLB
SCHEMBL572190 0.72 TDP1 (0.58) TDP1MAPTMEN1KMT2APOLB
SCHEMBL6701790 0.71 ESR1 (0.46) KDM4EGAA

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 TDP1 4524/4885MAPT 4496/4885MEN1 1831/4885
US-20040043993-A1 Biphenyl compounds and their use as oestrogenic agents CYP19A1, HSD17B11, GPER1 TDP1 3945/4885MAPT 4418/4885MEN1 1821/4885

“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.