SCHEMBL13294261

SCHEMBL13294261

O=C(NO)c1ccc2cc(-c3ccc(O)c(C45CC6CC(CC(C6)C4)C5)c3)ccc2c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 12/20 0.76
RARG P13631 10/20 0.76
RARA P10276 7/20 0.76
MEN1 O00255 3/20 0.76
KMT2A Q03164 3/20 0.76
KDM4E B2RXH2 1/20 0.76
ALDH1A1 P00352 1/20 0.76
TP53 P04637 1/20 0.76
CYP3A4 P08684 1/20 0.76
MAPT P10636 1/20 0.76
HPGD P15428 1/20 0.76
ALOX15 P16050 1/20 0.76
ALOX12 P18054 1/20 0.76
MAPK1 P28482 1/20 0.76
SMN1; SMN2 Q16637 1/20 0.76
HSD17B10 Q99714 1/20 0.76
THRB P10828 1/20 0.61
RECQL P46063 1/20 0.61
NR2E1 Q9Y466 1/20 0.61
HDAC3 O15379 1/20 0.58

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
O-Demethylated Adapalene SCHEMBL174205 0.86 RARG (1.00) RARBRARGRARAMEN1KMT2A
O-Demethylated Adapalene SCHEMBL29357288 0.86 RARG (1.00) RARBRARGRARAMEN1KMT2A
O-Demethylated Adapalene SCHEMBL29727107 0.86 RARG (1.00) RARBRARGRARAMEN1KMT2A
O-Demethylated Adapalene SCHEMBL29357074 0.86 RARG (1.00) RARBRARGRARAMEN1KMT2A
SCHEMBL29462817 0.86 RARB (0.70) RARBRARGRARAMEN1KMT2A
SCHEMBL20564812 0.86 RARB (0.70) RARBRARGRARAMEN1KMT2A
SCHEMBL20565441 0.85 RARB (0.80) RARBRARGRARAMEN1KMT2A
SCHEMBL29462761 0.85 RARB (0.80) RARBRARGRARAMEN1KMT2A
SCHEMBL26052718 0.85 RARB (0.80) RARBRARGRARAMEN1KMT2A
SCHEMBL3677626 0.85 RARB (0.74) RARBRARGRARAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728039-B2 Biphenyl and Naphthyl-Phenyl Hydroxamic Acid Derivatives SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2010-06-01 US disclosed
US-20080319082-A1 Biphenyl and Naphthyl-Phenyl Hydroxamic Acid Derivatives SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-12-25 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 (1 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-20080319082-A1 Biphenyl and Naphthyl-Phenyl Hydroxamic Acid Derivatives VHL, ARNT, AHR RARB 136/4885RARG 246/4885RARA 290/4885

“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.