SCHEMBL9976017

SCHEMBL9976017

O=c1cc(/C=C/c2ccc(OCF)cc2)oc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.67
KDM4E B2RXH2 6/20 0.67
ALDH1A1 P00352 6/20 0.67
HPGD P15428 6/20 0.67
SMN1; SMN2 Q16637 5/20 0.67
NPC1 O15118 3/20 0.67
RAB9A P51151 3/20 0.67
NPSR1 Q6W5P4 1/20 0.67
STS P08842 1/20 0.52
MAOB P27338 2/20 0.51
MAOA P21397 1/20 0.51
ABCB1 P08183 1/20 0.45
HTT P42858 1/20 0.45
TP53 P04637 3/20 0.44
CYP3A4 P08684 2/20 0.44
GRM4 Q14833 1/20 0.43
HSD17B10 Q99714 2/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
ADORA3 P0DMS8 2/20 0.43

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
SCHEMBL15290403 0.85 ALDH1A1 (0.79) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL9975962 0.83 MAPT (0.80) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL2465240 0.81 HPGD (1.00) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL435366 0.81 HPGD (1.00) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL9976007 0.79 KDM4E (0.78) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL9976005 0.79 KDM4E (0.78) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL9976009 0.78 KDM4E (0.72) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL9976006 0.76 HPGD (0.69) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL15290402 0.76 QPCT (0.50) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL10615084 0.76 KDM4E (0.78) MAPTKDM4EALDH1A1HPGDSMN1; SMN2

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
US-8546397-B2 DNA methylation inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-10-01 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 MAPT 3677/4885KDM4E 427/4885ALDH1A1 2789/4885

“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.