SCHEMBL2810908

SCHEMBL2810908

COC(=O)c1ccc(C(=O)c2c(C)[nH]c3ccc(C(=O)O)cc23)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.58
ALDH1A1 P00352 4/20 0.58
HPGD P15428 3/20 0.58
THRB P10828 1/20 0.58
HSD17B10 Q99714 3/20 0.52
PTPN5 P54829 1/20 0.50
NR4A2 P43354 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
PSMD14 O00487 1/20 0.47
RECQL P46063 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
APEX1 P27695 1/20 0.47
ALOX15 P16050 1/20 0.46
CASP1 P29466 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HCRTR1 O43613 1/20 0.46
PTGS1 P23219 1/20 0.45

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
SCHEMBL3931733 0.80 KDM4E (0.69) KDM4EALDH1A1HPGDTHRBPTPN5
SCHEMBL17203149 0.78 KDM4E (0.58) KDM4EALDH1A1HPGDTHRBPTPN5
SCHEMBL2807422 0.78 KDM4E (0.55) KDM4EALDH1A1HPGDTHRBHSD17B10
SCHEMBL17205786 0.77 RAB9A (0.59) KDM4EALDH1A1HPGDTHRBHSD17B10
SCHEMBL5881930 0.77 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10NR4A2
SCHEMBL18941101 0.77 HCRTR1 (0.73) KDM4EALDH1A1HPGDTHRBHSD17B10
SCHEMBL13726361 0.76 ALDH1A1 (0.55) KDM4EALDH1A1HPGDTHRBNR4A2
SCHEMBL2804276 0.76 MAPT (0.57) KDM4EALDH1A1HPGDTHRBHSD17B10
SCHEMBL2804412 0.76 MAPT (0.57) KDM4EALDH1A1HPGDTHRBHSD17B10
SCHEMBL2981080 0.75 ALDH1A1 (0.53) KDM4EALDH1A1HPGDTHRBHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240718-A1 NOVEL HETEROARYL-SUBSTITUTED ACETONE DERIVATIVE, SUITABLE FOR INHIBITING PHOSPHOLIPASE A2 WESTFALISCHE WILHELMS UNIVERSITÄT MÜNSTER (DE) 2010-09-23 US disclosed
EP-2215059-A2 NOVEL HETEROARYL-SUBSTITUTED ACETONE DERIVATIVE, SUITABLE FOR INHIBITING PHOSPHOLIPASE A2 Westfälische Wilhelms-Universität Münster (DE) 2010-08-11 EP disclosed
WO-2009040314-A2 NOVEL HETEROARYL-SUBSTITUTED ACETONE DERIVATIVES, SUITABLE FOR INHIBITING PHOSPHOLIPASE A2 Westfälische Wilhelms Universität Münster (DE) 2009-04-02 WO 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-20100240718-A1 NOVEL HETEROARYL-SUBSTITUTED ACETONE DERIVATIVE, SUITABLE FOR INHIBITING PHOSPHOLIPASE A2 PLD2, PLA2G1B, PLA2G4A KDM4E 2977/4885ALDH1A1 791/4885HPGD 594/4885

“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.