Sugi Predict

Sugi Predict / Compounds / SCHEMBL6698935

SCHEMBL6698935

SCHEMBL6698935

COC(=O)c1cc(Br)c(-c2ccc(O)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 2/20 0.46
▸ VCAM1 P19320 1/20 0.46
▸ CA12 O43570 2/20 0.44
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CA7 P43166 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ CA14 Q9ULX7 2/20 0.44
▸ HPGD P15428 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ ABL1 P00519 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ TPMT P51580 1/20 0.40

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
SCHEMBL6059124 0.84 CASP6 (0.47) ERN1ALDH1A1TPMT
SCHEMBL2901090 0.79 VCAM1 (0.50) VCAM1HPGDMAPTKDM4EMEN1
SCHEMBL443827 0.79 MEN1 (0.51) ERN1VCAM1CA12CA1CA2
SCHEMBL30153000 0.79 MEN1 (0.51) ERN1VCAM1CA12CA1CA2
SCHEMBL6704548 0.79 CA1 (0.49) CA12CA1CA2CA7CA9
SCHEMBL28690833 0.78 VCAM1 (0.51) VCAM1HPGDMAPTKDM4EMEN1
SCHEMBL29407123 0.78 VCAM1 (0.51) VCAM1HPGDMAPTKDM4EMEN1
SCHEMBL443612 0.76 ALDH1A1 (0.51) VCAM1HPGDMAPTKDM4EMEN1
SCHEMBL12774975 0.76 VCAM1 (0.50) VCAM1HPGDMAPTKDM4EMEN1
SCHEMBL18113036 0.75 VCAM1 (0.49) VCAM1HPGDMAPTKDM4EMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ERN1 2047/4885VCAM1 3754/4885CA12 3027/4885
US-20040043993-A1 Biphenyl compounds and their use as oestrogenic agents CYP19A1, HSD17B11, GPER1 ERN1 3633/4885VCAM1 3382/4885CA12 1305/4885

“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.