SCHEMBL9976009

SCHEMBL9976009

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.72
MAPT P10636 4/20 0.72
ALDH1A1 P00352 4/20 0.72
HPGD P15428 3/20 0.72
SMN1; SMN2 Q16637 2/20 0.72
NPC1 O15118 2/20 0.72
NPSR1 Q6W5P4 2/20 0.72
RAB9A P51151 1/20 0.72
CYP1A1 P04798 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2E1 P05181 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C8 P10632 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2A6 P11509 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP4B1 P13584 1/20 0.59
CYP2B6 P20813 1/20 0.59
CYP3A5 P20815 1/20 0.59
CYP2A7 P20853 1/20 0.59

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) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL2465240 0.84 HPGD (1.00) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL9976007 0.82 KDM4E (0.78) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL9976005 0.82 KDM4E (0.78) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL9975965 0.82 KDM4E (0.78) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL10615084 0.82 KDM4E (0.78) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL9976006 0.80 HPGD (0.69) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL9976004 0.78 KDM4E (0.72) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL9975962 0.78 MAPT (0.80) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL9976017 0.78 MAPT (0.67) 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.