SCHEMBL9976004

SCHEMBL9976004

CN(C)c1ccc(/C=C/c2cc(=O)c3ccccc3o2)cc1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.72
MAPT P10636 3/20 0.72
ALDH1A1 P00352 2/20 0.72
HPGD P15428 2/20 0.72
RAB9A P51151 2/20 0.72
NPC1 O15118 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
NPSR1 Q6W5P4 1/20 0.72
APP P05067 15/20 0.67
TNKS O95271 1/20 0.59
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
MEN1 O00255 1/20 0.51
NQO1 P15559 1/20 0.51
RECQL P46063 1/20 0.51
KMT2A Q03164 1/20 0.51
GPR55 Q9Y2T6 1/20 0.51

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
SCHEMBL435366 0.84 HPGD (1.00) KDM4EMAPTALDH1A1HPGDRAB9A
SCHEMBL2465240 0.84 HPGD (1.00) KDM4EMAPTALDH1A1HPGDRAB9A
SCHEMBL10144983 0.83 APP (0.69) KDM4EMAPTALDH1A1HPGDRAB9A
SCHEMBL14433381 0.83 APP (0.69) KDM4EMAPTALDH1A1HPGDRAB9A
SCHEMBL4989024 0.83 APP (0.69) KDM4EMAPTALDH1A1HPGDRAB9A
SCHEMBL10144903 0.83 APP (0.69) KDM4EMAPTALDH1A1HPGDRAB9A
SCHEMBL9976007 0.82 KDM4E (0.78) KDM4EMAPTALDH1A1HPGDRAB9A
SCHEMBL9976005 0.82 KDM4E (0.78) KDM4EMAPTALDH1A1HPGDRAB9A
SCHEMBL4989030 0.81 KDM4E (0.53) KDM4EMAPTALDH1A1HPGDRAB9A
SCHEMBL4987371 0.81 MAOA (0.74) KDM4EMAPTALDH1A1HPGDSMN1; 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 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 KDM4E 427/4885MAPT 3677/4885ALDH1A1 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.