SCHEMBL3918945

SCHEMBL3918945

CC(C)(C)c1c(C(=O)O)[nH]c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.56
ALDH1A1 P00352 6/20 0.56
HPGD P15428 4/20 0.56
MEN1 O00255 7/20 0.54
KMT2A Q03164 7/20 0.54
POLB P06746 1/20 0.51
FOLH1 Q04609 1/20 0.50
HSD17B10 Q99714 4/20 0.49
MAPT P10636 3/20 0.49
GAA P10253 3/20 0.49
GFER P55789 3/20 0.49
USP2 O75604 1/20 0.49
HTT P42858 1/20 0.49
MAP2 P11137 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MCL1 Q07820 1/20 0.44

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
SCHEMBL8063526 0.83 KDM4E (0.56) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL5497865 0.79 KDM4E (0.51) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL2399274 0.78 ALDH1A1 (0.63) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL29897041 0.78 ALDH1A1 (0.63) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL8045722 0.78 NGFR (0.50) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL27785395 0.76 MEN1 (0.66) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL87871 0.74 KDM4E (0.65) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL62193 0.74 KDM4E (0.62) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL30366683 0.74 KDM4E (0.62) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL31182999 0.74 KDM4E (0.65) KDM4EALDH1A1HPGDMEN1KMT2A

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
US-7608633-B2 Heteroaryl-substituted acetone derivatives as inhibitors of phospholipase A2 MERCKLE GMBH (DE) 2009-10-27 US disclosed
EP-1590324-B1 NOVEL HETEROARYL-SUBSTITUTED ACETONE DERIVATIVES AS INHIBITORS OF PHOSPHOLIPASE A sb 2 /sb MERCKLE GMBH (DE) 2009-03-11 EP disclosed
US-20060142366-A1 Novel heteroaryl-substituted acetone derivatives as inhibitors of phospholipase a2 MERCKLE GMBH (DE) 2006-06-29 US disclosed
EP-1003504-B1 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 ANTAGONISTS ASTRAZENECA AB (SE) 2003-07-02 EP disclosed
EP-0640080-B1 SUBSTITUTED INDOLES AS ANGIOTENSIN II ANTAGONISTS SYNTEX INC (US) 1997-10-22 EP disclosed
EP-0640080-A1 SUBSTITUTED INDOLES AND AZAINDOLES AS ANGIOTENSIN II ANTAGONISTS. SYNTEX INC (US) 1995-03-01 EP disclosed
US-5380739-A Angiotensin II antagonists SYNTEX (U.S.A.) INC. (US) 1995-01-10 US disclosed
WO-1993023391-A1 SUBSTITUTED INDOLES AND AZAINDOLES AS ANGIOTENSIN II ANTAGONISTS SYNTEX (U.S.A.) INC. (US) 1993-11-25 WO disclosed
US-5212195-A Substituted indole antagonists derivatives which are angiotensin II SYNTEX (U.S.A.) INC. (US) 1993-05-18 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-20060142366-A1 Novel heteroaryl-substituted acetone derivatives as inhibitors of phospholipase a2 PLD2, PLA2G1B, PLA2G4A KDM4E 3805/4885ALDH1A1 883/4885HPGD 629/4885

“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.