SCHEMBL2807092

SCHEMBL2807092

O=C(CCC(=O)c1c[nH]c2ccc(C(=O)OCc3ccccc3)cc12)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 3/20 0.49
WNT3A P56704 3/20 0.49
RAB9A P51151 4/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
ADAM17 P78536 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
LMNA P02545 3/20 0.45
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 2/20 0.45
NPC1 O15118 2/20 0.45
HPGD P15428 2/20 0.45
TP53 P04637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
TDP1 Q9NUW8 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
SCHEMBL28794896 0.81 ALDH1A1 (0.51) RAB9ALMNAKMT2AALDH1A1MEN1
SCHEMBL10208253 0.79 KMT2A (0.51) RAB9ANFKB1NFKB2RELALMNA
SCHEMBL8960012 0.77 ADAM17 (0.58) CTNNB1WNT3ARAB9AADAM17LMNA
SCHEMBL186915 0.77 LMNA (0.49) RAB9ANFKB1NFKB2RELALMNA
SCHEMBL2807419 0.76 GPR84 (0.54) CTNNB1WNT3ARAB9ARXFP1LMNA
SCHEMBL7835246 0.76 TDP1 (0.52) NFKB1LMNAALDH1A1HPGDTDP1
SCHEMBL188311 0.76 IMPDH2 (0.52) RAB9ALMNAKMT2AALDH1A1MEN1
SCHEMBL16920143 0.74 NR4A2 (0.61) LMNAKMT2AALDH1A1MEN1MAPT
SCHEMBL22479157 0.74 GABRA1 (0.49) KMT2AALDH1A1HPGDSLC6A2SLC6A3
SCHEMBL9581236 0.74 ADAM17 (0.57) CTNNB1WNT3ARAB9AADAM17RXFP1

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 CTNNB1 3335/4885WNT3A 3383/4885RAB9A 1398/4885

“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.