SCHEMBL10318875

SCHEMBL10318875

COc1cc2[nH]c(=O)c(C(=O)O)cc2cc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.59
GAA P10253 3/20 0.59
ALDH1A1 P00352 3/20 0.59
POLB P06746 1/20 0.59
GRIN2D O15399 3/20 0.46
GRIN3B O60391 3/20 0.46
GRIN1 Q05586 3/20 0.46
GRIN2A Q12879 3/20 0.46
GRIN2B Q13224 3/20 0.46
GRIN2C Q14957 3/20 0.46
GRIN3A Q8TCU5 3/20 0.46
CNR2 P34972 1/20 0.45
HPGD P15428 4/20 0.45
HSD17B10 Q99714 3/20 0.45
DYRK1A Q13627 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42

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
SCHEMBL10318742 0.89 KDM4E (0.64) KDM4EGAAALDH1A1POLBGRIN2D
SCHEMBL18359492 0.84 KDM4E (0.58) KDM4EGAAALDH1A1POLBGRIN2D
SCHEMBL29379466 0.80 GPR35 (0.67) KDM4EALDH1A1HPGDHSD17B10CA12
SCHEMBL6285596 0.80 GPR35 (0.67) KDM4EALDH1A1HPGDHSD17B10CA12
SCHEMBL10318325 0.79 ALDH1A1 (0.52) KDM4EGAAALDH1A1POLBGRIN2D
SCHEMBL10319010 0.79 ALDH1A1 (0.52) KDM4EGAAALDH1A1POLBGRIN2D
SCHEMBL11052835 0.78 KDM4E (0.54) KDM4EGAAALDH1A1POLBGRIN2D
SCHEMBL4414669 0.77 CNR2 (0.57) KDM4EGAAALDH1A1POLBCNR2
SCHEMBL10321066 0.76 KDM4E (0.52) KDM4EGAAALDH1A1POLBGRIN2D
SCHEMBL10320933 0.76 ALDH1A1 (0.49) KDM4EGAAALDH1A1POLBGRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012098070-A1 QUINOLINE DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO claimed
US-20120184548-A1 CARBOXYLIC ACID ARYL AMIDES DOMINIQUE ROMYR (US) 2012-07-19 US claimed
WO-2012098070-A1 QUINOLINE DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO disclosed
US-20120184548-A1 CARBOXYLIC ACID ARYL AMIDES DOMINIQUE ROMYR (US) 2012-07-19 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-20120184548-A1 CARBOXYLIC ACID ARYL AMIDES GOT1, PPARG, PPARA KDM4E 1393/4885GAA 96/4885ALDH1A1 62/4885

“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.