SCHEMBL6058698

SCHEMBL6058698

CN(C)CC#Cc1cc(CO)cc([N+](=O)[O-])c1-c1ccc(O)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
ABCB1 P08183 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL6058812 0.80 BACE1 (0.42) BACE1ALDH1A1MAPTABCB1TDP1
SCHEMBL6058574 0.74 TDP1 (0.42) BACE1ALDH1A1MAPTABCB1TDP1
SCHEMBL5528639 0.74 BACE1 (0.38) BACE1ALDH1A1MAPTABCB1NPSR1
SCHEMBL6701790 0.72 ESR1 (0.46) KDM4E
SCHEMBL12225780 0.67 TSHR (0.49) ALDH1A1MAPTKDM4E
SCHEMBL2793249 0.66 TDP1 (0.42) ALDH1A1MAPTTDP1
SCHEMBL2571777 0.66 ATM (0.46) ALDH1A1MAPTTDP1SMN1; SMN2
SCHEMBL27815805 0.64 GPR35 (0.52) ALDH1A1MAPTTDP1POLBKDM4E
SCHEMBL9812448 0.63 GPR35 (0.57) ALDH1A1MAPTTDP1KDM4E
SCHEMBL6910913 0.62 MAPT (0.51) BACE1ALDH1A1MAPTABCB1NPSR1

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 BACE1 1661/4885ALDH1A1 381/4885MAPT 4496/4885
US-20040043993-A1 Biphenyl compounds and their use as oestrogenic agents CYP19A1, HSD17B11, GPER1 BACE1 677/4885ALDH1A1 272/4885MAPT 4418/4885

“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.