SCHEMBL2807419

SCHEMBL2807419

COC(=O)CCC(=O)c1c[nH]c2ccc(C(=O)OC)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.54
NR4A2 P43354 6/20 0.52
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
LMNA P02545 2/20 0.49
RAB9A P51151 2/20 0.49
MITF O75030 1/20 0.49
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CTNNB1 P35222 2/20 0.47
WNT3A P56704 2/20 0.47
NPC1 O15118 1/20 0.47
HTR7 P34969 1/20 0.47
HTR6 P50406 1/20 0.47
ATM Q13315 1/20 0.46

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
SCHEMBL2804275 0.94 GPR84 (0.53) GPR84NR4A2MEN1KMT2ALMNA
SCHEMBL2804410 0.93 GPR84 (0.52) GPR84NR4A2MEN1KMT2ALMNA
SCHEMBL9581236 0.90 ADAM17 (0.57) GPR84NR4A2MEN1KMT2ALMNA
SCHEMBL7539248 0.90 NPC1 (0.60) GPR84NR4A2RAB9AMAPTCTNNB1
SCHEMBL6873838 0.85 MEN1 (0.53) GPR84NR4A2MEN1KMT2ALMNA
SCHEMBL10989209 0.84 GABRA1 (0.53) GPR84NR4A2MEN1KMT2ALMNA
SCHEMBL10980425 0.84 GABRA1 (0.53) GPR84NR4A2MEN1KMT2ALMNA
SCHEMBL10980119 0.84 GABRA1 (0.53) GPR84NR4A2MEN1KMT2ALMNA
SCHEMBL10989213 0.84 GABRA1 (0.53) GPR84NR4A2MEN1KMT2ALMNA
SCHEMBL27365216 0.83 NR4A2 (0.72) GPR84NR4A2MEN1KMT2ARAB9A

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 GPR84 900/4885NR4A2 2170/4885MEN1 4290/4885

“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.