SCHEMBL4807273

SCHEMBL4807273

CCOC(=O)C(CC(C)=O)c1cccc(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
TP53 P04637 1/20 0.40
MMP8 P22894 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
GAA P10253 1/20 0.39
RECQL P46063 1/20 0.39
KCNQ2 O43526 1/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 1/20 0.39
ACP3 P15309 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39

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
SCHEMBL28763045 0.84 MMP8 (0.51) ALDH1A1TDP1KDM4EMMP8GAA
SCHEMBL4010256 0.83 SMN1; SMN2 (0.47) TDP1GAAMEN1KMT2AACP3
SCHEMBL5099068 0.81 TDP1 (0.41) ALDH1A1TDP1KDM4EMAPTHTT
SCHEMBL4802868 0.79 TDP1 (0.41) ALDH1A1TDP1KDM4EMAPTHTT
SCHEMBL4007320 0.79 CYP2C19 (0.46) ALDH1A1TDP1KDM4EMAPTHTT
SCHEMBL1491141 0.79 MMP8 (0.53) ALDH1A1TDP1KDM4EMAPTHTT
SCHEMBL13985456 0.78 KMO (0.45) ALDH1A1MAPTL3MBTL1MEN1NPC1
SCHEMBL4210524 0.78 PTGS1 (0.45) ALDH1A1TDP1KDM4EMAPTHTT
SCHEMBL9136495 0.78 MMP8 (0.44) ALDH1A1TDP1KDM4EMAPTHTT
SCHEMBL9138377 0.76 ALDH1A1 (0.43) ALDH1A1TDP1KDM4EMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465808-B2 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2008-12-16 US disclosed
US-7465808-B2 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2008-12-16 US disclosed
US-7465808-B2 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2008-12-16 US disclosed
US-7037931-B2 Corticotropin releasing factor moderator; analgesics; drug abruse, drug dependency; schizophrenia JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-02 US disclosed
EP-1641762-A2 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-04-05 EP disclosed
US-20060014817-A1 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2006-01-19 US disclosed
US-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration JANSSEN PHARMACEUTICA N.V. (BE) 2006-01-05 US disclosed
EP-1525190-A1 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-04-27 EP disclosed
US-20050026903-A1 CCK-1 receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-03 US disclosed
US-20050020565-A1 Pyrazole compound; gastrointestinal disorders; central nervous system disorders JONES TODD K (US) 2005-01-27 US disclosed
WO-2005005393-A2 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-20 WO disclosed
US-20040067983-A1 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2004-04-08 US disclosed
WO-2004007463-A1 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-01-22 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 (5 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-20050020565-A1 Pyrazole compound; gastrointestinal disorders; central nervous system disorders CCKAR, CCKBR, NPY1R ALDH1A1 1572/4885TDP1 2703/4885KDM4E 3706/4885
US-20060014817-A1 CCK-1 receptor modulators CCKAR, CCKBR, GIPR ALDH1A1 2402/4885TDP1 3967/4885KDM4E 3601/4885
US-20040067983-A1 CCK-1 receptor modulators CCKAR, CCKBR, GIPR ALDH1A1 2402/4885TDP1 3967/4885KDM4E 3601/4885
US-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration CCKAR, CCKBR, FFAR1 ALDH1A1 597/4885TDP1 4321/4885KDM4E 4599/4885
US-20050026903-A1 CCK-1 receptor modulators CCKAR, CCKBR, GLP1R ALDH1A1 1501/4885TDP1 4296/4885KDM4E 3040/4885

“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.