SCHEMBL4009863

SCHEMBL4009863

C#CCC(C(=O)O)c1cccc(C)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.43
CPN1 P15169 2/20 0.42
CPB2 Q96IY4 2/20 0.42
PTGFR P43088 3/20 0.39
CCKAR P32238 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KCNQ2 O43526 1/20 0.38
CYP26A1 O43174 1/20 0.37
AOC3 Q16853 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
GPR139 Q6DWJ6 1/20 0.36

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
SCHEMBL4799903 0.86 ACP3 (0.39) ACP3MEN1KMT2ATDP1KCNQ2
SCHEMBL4802868 0.84 TDP1 (0.41) ACP3SMN1; SMN2TDP1KCNQ2PSEN1
SCHEMBL30372442 0.82 ACP3 (0.49) ACP3CPN1CPB2PTGFRCCKAR
SCHEMBL19358768 0.81 CYP2C19 (0.52) CPN1CPB2SMN1; SMN2KCNQ2
SCHEMBL1801772 0.80 AKR1C3 (0.52) ACP3CPN1CPB2MEN1KMT2A
SCHEMBL6366873 0.80 ACP3 (0.47) ACP3CPN1CPB2PTGFRCCKAR
SCHEMBL6366878 0.80 ACP3 (0.47) ACP3CPN1CPB2PTGFRCCKAR
SCHEMBL1653534 0.80 AKR1C3 (0.52) ACP3CPN1CPB2MEN1KMT2A
SCHEMBL6366880 0.80 ACP3 (0.47) ACP3CPN1CPB2PTGFRCCKAR
SCHEMBL21194013 0.79 ROCK2 (0.49) ACP3CPN1CPB2PTGFRCCKAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781617-A4 ALPHA, BETA-UNSATURATED ESTERS AND ACIDS BY STEREOSELECTIVE DEHYDRATION JANSSEN PHARMACEUTICA NV (BE) 2009-06-24 EP disclosed
US-7465808-B2 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2008-12-16 US disclosed
EP-1781617-A2 ALPHA, BETA-UNSATURATED ESTERS AND ACIDS BY STEREOSELECTIVE DEHYDRATION JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-09 EP 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
WO-2006004742-A2 α, β-UNSATURATED ESTERS AND ACIDS BY STEREOSELECTIVE DEHYDRATION JANSSEN PHARAMCEUTICA N.V. (BE) 2006-01-12 WO 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 ACP3 4737/4885CPN1 3628/4885CPB2 4234/4885
US-20060014817-A1 CCK-1 receptor modulators CCKAR, CCKBR, GIPR ACP3 4203/4885CPN1 2149/4885CPB2 2611/4885
US-20040067983-A1 CCK-1 receptor modulators CCKAR, CCKBR, GIPR ACP3 4203/4885CPN1 2149/4885CPB2 2611/4885
US-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration CCKAR, CCKBR, FFAR1 ACP3 4473/4885CPN1 2833/4885CPB2 3673/4885
US-20050026903-A1 CCK-1 receptor modulators CCKAR, CCKBR, GLP1R ACP3 4571/4885CPN1 2744/4885CPB2 3973/4885

“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.