SCHEMBL9975972

SCHEMBL9975972

COc1cc(OC)c2c(=O)cc(/C=C/c3ccncc3)oc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
HPGD P15428 7/20 0.54
KDM4E B2RXH2 6/20 0.54
MAPT P10636 4/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
PPARG P37231 1/20 0.54
ABCB1 P08183 2/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
ABCG2 Q9UNQ0 1/20 0.51
CYP1A1 P04798 2/20 0.49
CYP1B1 Q16678 2/20 0.49
CYP1A2 P05177 2/20 0.49
SMN1; SMN2 Q16637 4/20 0.47
TP53 P04637 2/20 0.47
HSD17B10 Q99714 2/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
MAOA P21397 2/20 0.46

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
SCHEMBL9975977 0.89 ALDH1A1 (0.68) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL9975970 0.88 ALDH1A1 (0.63) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL9976012 0.86 ABCB1 (0.54) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL9975974 0.86 HPGD (0.60) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL9975976 0.86 ALDH1A1 (0.57) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL9975975 0.86 MAOB (0.64) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL9976013 0.85 ALDH1A1 (0.54) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL15290375 0.82 ALDH1A1 (0.56) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL9976014 0.82 ALDH1A1 (0.56) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL9976015 0.82 ABCC1 (0.58) ALDH1A1HPGDKDM4EMAPTMEN1

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 ALDH1A1 2789/4885HPGD 1457/4885KDM4E 427/4885

“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.