SCHEMBL9970100

SCHEMBL9970100

Cc1ncc(OCc2ccccc2)c(CN)c1C

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.61
L3MBTL1 Q9Y468 3/20 0.53
MAPT P10636 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.47
STAT3 P40763 1/20 0.47
HTT P42858 1/20 0.47
MAPK14 Q16539 2/20 0.44
LTA4H P09960 1/20 0.44
ATP4A P20648 1/20 0.44
ATP4B P51164 1/20 0.44
LMNA P02545 1/20 0.43
MAOB P27338 1/20 0.42
LIPE Q05469 1/20 0.41
BRD4 O60885 3/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL25609280 0.87 AOC3 (0.57) AOC3L3MBTL1MAPTTDP1MAPK1
SCHEMBL10372977 0.78 L3MBTL1 (0.53) AOC3L3MBTL1MAPTTDP1MAPK1
SCHEMBL26534330 0.76 L3MBTL1 (0.53) AOC3L3MBTL1MAPTTDP1MAPK1
SCHEMBL16356781 0.73 L3MBTL1 (0.65) AOC3L3MBTL1MAPTTDP1MAPK1
SCHEMBL19068784 0.73 AOC3 (0.48) AOC3L3MBTL1MAPTTDP1MAPK1
SCHEMBL2116065 0.72 HTT (0.58) AOC3L3MBTL1MAPTTDP1MAPK1
SCHEMBL9970114 0.72 DPP4 (0.43) AOC3LMNA
SCHEMBL10650145 0.72 HTT (0.54) AOC3L3MBTL1MAPTTDP1MAPK1
SCHEMBL9007487 0.72 MAPT (0.80) AOC3L3MBTL1MAPTTDP1MAPK1
SCHEMBL9970102 0.71 AOC3 (0.45) AOC3MAPTLMNACYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822542-B2 Isoketal scavengers and mitigation of disorders involving oxidative injury VANDERBILT UNIVERSITY (US) 2014-09-02 US disclosed
US-20120157501-A1 ISOKETAL SCAVENGERS AND MITIGATION OF DISORDERS INVOLVING OXIDATIVE INJURY VANDERBILT UNIVERSITY 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-20120157501-A1 ISOKETAL SCAVENGERS AND MITIGATION OF DISORDERS INVOLVING OXIDATIVE INJURY PDXK, KYNU, FN3K AOC3 501/4885L3MBTL1 1364/4885MAPT 1326/4885

“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.