SCHEMBL9976015

SCHEMBL9976015

COc1cc(OC)c2c(=O)cc(/C=C/c3ccc([N+](=O)[O-])cc3)oc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 7/20 0.58
ABCG2 Q9UNQ0 5/20 0.58
PTGS2 P35354 3/20 0.55
PTGS1 P23219 1/20 0.55
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 3/20 0.53
MAPT P10636 3/20 0.53
HPGD P15428 3/20 0.53
ABCB1 P08183 6/20 0.52
TLR9 Q9NR96 1/20 0.52
CYP19A1 P11511 1/20 0.51
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
TP53 P04637 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL9975977 0.87 ALDH1A1 (0.68) ABCG2ALDH1A1KDM4EMAPTHPGD
SCHEMBL9975976 0.84 ALDH1A1 (0.57) ABCG2ALDH1A1KDM4EMAPTHPGD
SCHEMBL9975975 0.84 MAOB (0.64) ABCG2ALDH1A1KDM4EMAPTHPGD
SCHEMBL9975974 0.84 HPGD (0.60) ABCG2ALDH1A1KDM4EMAPTHPGD
SCHEMBL9975970 0.84 ALDH1A1 (0.63) ABCC1ABCG2ALDH1A1KDM4EMAPT
SCHEMBL9976012 0.82 ABCB1 (0.54) ABCG2ALDH1A1KDM4EMAPTHPGD
SCHEMBL9975972 0.82 ALDH1A1 (0.54) ABCG2ALDH1A1KDM4EMAPTHPGD
SCHEMBL9976013 0.81 ALDH1A1 (0.54) ABCC1ABCG2ALDH1A1KDM4EMAPT
SCHEMBL15290375 0.80 ALDH1A1 (0.56) ABCG2ALDH1A1KDM4EMAPTHPGD
SCHEMBL9976014 0.80 ALDH1A1 (0.56) ABCG2ALDH1A1KDM4EMAPTHPGD

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-8546397-B2 DNA methylation inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-10-01 US disclosed
US-8546397-B2 DNA methylation inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-10-01 US disclosed
WO-2012087889-A2 DNA METHYLATION INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-28 WO disclosed
US-20120157465-A1 DNA METHYLATION INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-21 US disclosed
US-20120157465-A1 DNA METHYLATION INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-21 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-20120157465-A1 DNA METHYLATION INHIBITORS MECP2, DNMT1, DNMT3B ABCC1 2801/4885ABCG2 2758/4885PTGS2 405/4885

“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.