SCHEMBL9975967

SCHEMBL9975967

O=c1cc(/C=C/c2ccc3c(c2)OCO3)oc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.64
KDM4E B2RXH2 6/20 0.64
MAPT P10636 4/20 0.64
NPC1 O15118 4/20 0.64
RAB9A P51151 4/20 0.64
HPGD P15428 4/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
NPSR1 Q6W5P4 1/20 0.64
TNKS O95271 1/20 0.57
CYP3A4 P08684 2/20 0.48
CYP1A2 P05177 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
MAOB P27338 1/20 0.47
CYP19A1 P11511 2/20 0.47
ATM Q13315 1/20 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
SCHEMBL2465240 0.79 HPGD (1.00) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL435366 0.79 HPGD (1.00) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL9976006 0.77 HPGD (0.69) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL9976007 0.77 KDM4E (0.78) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL9976005 0.77 KDM4E (0.78) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL3370878 0.75 APP (0.67) ALDH1A1CYP3A4CYP1A2HDAC4HDAC1
SCHEMBL28245558 0.75 KDM4E (0.74) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL11823788 0.74 KDM4E (0.64) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL9975959 0.74 KDM4E (0.64) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL10615084 0.74 KDM4E (0.78) ALDH1A1KDM4EMAPTNPC1RAB9A

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 2789/4885KDM4E 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.