SCHEMBL9945908

SCHEMBL9945908

CB(O)c1cc(C=O)cc(C=O)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
SRC P12931 1/20 0.34
PTGS2 P35354 1/20 0.33
RAB9A P51151 1/20 0.33
ERN1 O75460 1/20 0.33
ALDH5A1 P51649 2/20 0.32
ABAT P80404 2/20 0.32
CYP2A6 P11509 1/20 0.32
ALDH1A1 P00352 3/20 0.31
AOX1 Q06278 1/20 0.31
TRIM24 O15164 1/20 0.31
HPGD P15428 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TRIM33 Q9UPN9 1/20 0.31
XDH P47989 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL1619086 0.80 KDM4E (0.58) KDM4ESRCPTGS2RAB9AALDH5A1
SCHEMBL9945981 0.78 ALDH1A3 (0.47) KDM4EERN1ALDH1A1
SCHEMBL14362718 0.76 KDM4E (0.67) KDM4EPTGS2RAB9AALDH5A1ABAT
SCHEMBL9945982 0.76 ERN1 (0.39) PTGS2RAB9AERN1ALDH1A1HPGD
SCHEMBL11380285 0.75 KDM4E (0.58) KDM4ESRCPTGS2RAB9AALDH5A1
SCHEMBL308093 0.72 ALDH1A1 (0.47) KDM4ESRCPTGS2RAB9AALDH5A1
SCHEMBL1072576 0.71 KDM4E (0.48) KDM4ESRCPTGS2RAB9AERN1
SCHEMBL9301841 0.67 KDM4E (0.48) KDM4EPTGS2RAB9AERN1ALDH1A1
SCHEMBL1771343 0.67 KDM4E (0.48) KDM4EPTGS2RAB9AERN1
SCHEMBL4655558 0.67 KDM4E (0.48) KDM4EPTGS2RAB9AALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 KDM4E 4270/4885SRC 1082/4885PTGS2 307/4885

“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.