SCHEMBL14735299

SCHEMBL14735299

CC(=O)c1cc2c(c(C=O)c1O)OCO2

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
KDM4E B2RXH2 7/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.39
HPGD P15428 2/20 0.38
HSD17B10 Q99714 1/20 0.38
TSHR P16473 2/20 0.38
GAA P10253 1/20 0.37
LMNA P02545 2/20 0.37
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KLK7 P49862 1/20 0.36
MAPT P10636 1/20 0.36
MAOB P27338 1/20 0.35

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
SCHEMBL14747985 0.80 KDM4E (0.46) ALDH1A1KDM4ESMN1; SMN2NPSR1POLB
SCHEMBL16047848 0.76 ERN1 (0.37) ALDH1A1KDM4EPOLBHPGDHSD17B10
SCHEMBL1027211 0.72 AOC3 (0.43) ALDH1A1KDM4ESMN1; SMN2NPSR1HPGD
SCHEMBL773047 0.70 KDM4E (0.51) ALDH1A1KDM4ESMN1; SMN2NPSR1POLB
SCHEMBL14883951 0.69 ALDH1A1 (0.48) ALDH1A1KDM4ESMN1; SMN2NPSR1POLB
SCHEMBL12178129 0.69 KDM4E (0.44) ALDH1A1KDM4ESMN1; SMN2NPSR1POLB
SCHEMBL2210040 0.68 AOC3 (0.51) ALDH1A1HSD17B10MAPK1TDP1MAOB
SCHEMBL881447 0.68 NQO2 (0.45) ALDH1A1HPGDHSD17B10LMNATDP1
SCHEMBL23561476 0.68 ALDH1A1 (0.43) ALDH1A1KDM4ESMN1; SMN2POLBHSD17B10
SCHEMBL1748291 0.68 KDM4E (0.43) ALDH1A1KDM4ESMN1; SMN2NPSR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2565192-B9 ANTICANCER AGENT UNIV TOKYO (JP) 2015-11-25 EP disclosed
US-9156827-B2 Anticancer agent THE UNIVERSITY OF TOKYO (JP) 2015-10-13 US disclosed
US-9156827-B2 Anticancer agent THE UNIVERSITY OF TOKYO (JP) 2015-10-13 US disclosed
US-9156827-B2 Anticancer agent THE UNIVERSITY OF TOKYO (JP) 2015-10-13 US disclosed
EP-2565192-B1 ANTICANCER AGENT UNIV TOKYO (JP) 2015-08-12 EP disclosed
US-20130102776-A1 ANTICANCER AGENT RIKEN (JP) 2013-04-25 US disclosed
US-20130102776-A1 ANTICANCER AGENT RIKEN (JP) 2013-04-25 US disclosed
US-20130102776-A1 ANTICANCER AGENT RIKEN (JP) 2013-04-25 US disclosed
EP-2565192-A1 ANTICANCER AGENT The University of Tokyo (JP) 2013-03-06 EP 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-20130102776-A1 ANTICANCER AGENT PIM1, PIM3, PIM2 ALDH1A1 1194/4885KDM4E 540/4885SMN1; SMN2 3992/4885

“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.