SCHEMBL4224151

SCHEMBL4224151

COc1cc(C=O)c([N+](=O)[O-])c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
MAPT P10636 3/20 0.54
KDM4E B2RXH2 3/20 0.54
PRKDC P78527 2/20 0.54
CYP3A4 P08684 1/20 0.54
ALOX15 P16050 1/20 0.54
HSD17B10 Q99714 1/20 0.54
ERN1 O75460 5/20 0.49
TLR9 Q9NR96 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 1/20 0.43
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
CYP19A1 P11511 1/20 0.39
PKM P14618 1/20 0.39
TXNRD1 Q16881 1/20 0.39
TXNRD3 Q86VQ6 1/20 0.39

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
SCHEMBL31539517 0.84 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EPRKDCCYP3A4
SCHEMBL6826066 0.84 PKM (0.46) ALDH1A1MAPTKDM4EPRKDCCYP3A4
SCHEMBL27841655 0.78 CYP19A1 (0.58) MAPTTLR9MEN1KMT2ASMN1; SMN2
SCHEMBL28842339 0.77 NQO2 (0.42) ALDH1A1MAPTKDM4EPRKDCCYP3A4
SCHEMBL4218188 0.77 ALDH1A1 (0.58) ALDH1A1MAPTKDM4EPRKDCCYP3A4
SCHEMBL31539526 0.76 ALDH1A1 (0.40) ALDH1A1MAPTKDM4EPRKDCCYP3A4
SCHEMBL15400557 0.76 PKM (0.41) ALDH1A1MAPTKDM4EPRKDCCYP3A4
SCHEMBL29708088 0.76 ERN1 (0.56) ALDH1A1MAPTKDM4EPRKDCCYP3A4
SCHEMBL5891799 0.76 CYP3A4 (0.50) ALDH1A1MAPTKDM4ECYP3A4ERN1
SCHEMBL594444 0.76 ERN1 (0.56) ALDH1A1MAPTKDM4EPRKDCCYP3A4

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
US-7560491-B2 Z-stilbenes derivatives and the pharmaceutical composition thereof TAIPEI MEDICAL UNIVERSITY (TW) 2009-07-14 US disclosed
US-7560491-B2 Z-stilbenes derivatives and the pharmaceutical composition thereof TAIPEI MEDICAL UNIVERSITY (TW) 2009-07-14 US disclosed
US-7560491-B2 Z-stilbenes derivatives and the pharmaceutical composition thereof TAIPEI MEDICAL UNIVERSITY (TW) 2009-07-14 US disclosed
US-20080096973-A1 Z-stilbenes derivatives and the pharmaceutical composition thereof TAIPEI MEDICAL UNIVERSITY (TW) 2008-04-24 US disclosed
US-20080096973-A1 Z-stilbenes derivatives and the pharmaceutical composition thereof TAIPEI MEDICAL UNIVERSITY (TW) 2008-04-24 US disclosed
US-20080096973-A1 Z-stilbenes derivatives and the pharmaceutical composition thereof TAIPEI MEDICAL UNIVERSITY (TW) 2008-04-24 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-20080096973-A1 Z-stilbenes derivatives and the pharmaceutical composition thereof CCNB1, ZYX, H1-0 ALDH1A1 924/4885MAPT 2591/4885KDM4E 2682/4885

“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.