SCHEMBL9976006

SCHEMBL9976006

O=c1cc(/C=C/c2ccc(F)c(F)c2)oc2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.69
KDM4E B2RXH2 4/20 0.69
MAPT P10636 4/20 0.69
ALDH1A1 P00352 4/20 0.69
SMN1; SMN2 Q16637 4/20 0.69
NPC1 O15118 4/20 0.69
RAB9A P51151 3/20 0.69
NPSR1 Q6W5P4 2/20 0.69
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
STS P08842 1/20 0.44
GRM4 Q14833 1/20 0.44
GABRP O00591 3/20 0.43
GABRD O14764 3/20 0.43
GABRA1 P14867 3/20 0.43
GABRB1 P18505 3/20 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
SCHEMBL9976007 0.83 KDM4E (0.78) HPGDKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL2465240 0.82 HPGD (1.00) HPGDKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL435366 0.82 HPGD (1.00) HPGDKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL9976005 0.80 KDM4E (0.78) HPGDKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL9976009 0.80 KDM4E (0.72) HPGDKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL28245558 0.78 KDM4E (0.74) HPGDKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL9975959 0.77 KDM4E (0.64) HPGDKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL9975967 0.77 ALDH1A1 (0.64) HPGDKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL11823788 0.77 KDM4E (0.64) HPGDKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL9975965 0.77 KDM4E (0.78) HPGDKDM4EMAPTALDH1A1SMN1; 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 HPGD 1457/4885KDM4E 427/4885MAPT 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.