SCHEMBL9976050

SCHEMBL9976050

COc1ccc2c(=O)cc(/C=C/c3ccc(OC(F)(F)F)cc3)oc2c1

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.79
ALDH1A1 P00352 5/20 0.79
MAPT P10636 4/20 0.79
HPGD P15428 3/20 0.79
MAOB P27338 4/20 0.61
MAOA P21397 2/20 0.61
EPHX2 P34913 1/20 0.56
ESR1 P03372 1/20 0.52
APP P05067 6/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TP53 P04637 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TNKS O95271 1/20 0.47
CYP19A1 P11511 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL9976051 0.92 MAOA (0.73) KDM4EALDH1A1MAPTHPGDMAOB
SCHEMBL9976014 0.84 ALDH1A1 (0.56) KDM4EALDH1A1MAPTHPGDMAOB
SCHEMBL15290403 0.83 ALDH1A1 (0.79) KDM4EALDH1A1MAPTHPGDMAOB
SCHEMBL9976018 0.81 ALDH1A1 (0.51) KDM4EALDH1A1MAPTHPGDMAOB
SCHEMBL9975962 0.79 MAPT (0.80) KDM4EALDH1A1MAPTHPGDMAOB
SCHEMBL11511395 0.76 KDM4E (0.72) KDM4EALDH1A1MAPTHPGDMAOB
SCHEMBL4992744 0.76 MAOA (0.78) KDM4EALDH1A1MAPTHPGDMAOB
SCHEMBL10144893 0.76 MAOA (0.78) KDM4EALDH1A1MAPTHPGDMAOB
SCHEMBL9976055 0.74 MAPT (0.45) KDM4EALDH1A1MAPTHPGDMAOB
SCHEMBL9060858 0.74 NFE2L2 (0.62) KDM4EALDH1A1MAPTHPGDESR1

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 3 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
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

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 KDM4E 427/4885ALDH1A1 2789/4885MAPT 3677/4885

“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.