SCHEMBL4010256

SCHEMBL4010256

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ACP3 P15309 1/20 0.45
CPN1 P15169 2/20 0.44
CPB2 Q96IY4 2/20 0.44
CCKAR P32238 2/20 0.43
CYP26A1 O43174 1/20 0.41
PTGFR P43088 3/20 0.41
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
BRD4 O60885 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
SCHEMBL30372442 0.84 ACP3 (0.49) SMN1; SMN2MEN1KMT2AACP3CPN1
SCHEMBL1801772 0.83 AKR1C3 (0.52) MEN1KMT2AACP3CPN1CPB2
SCHEMBL1653534 0.83 AKR1C3 (0.52) MEN1KMT2AACP3CPN1CPB2
SCHEMBL6366873 0.83 ACP3 (0.47) SMN1; SMN2MEN1KMT2AACP3CPN1
SCHEMBL6366880 0.83 ACP3 (0.47) SMN1; SMN2MEN1KMT2AACP3CPN1
SCHEMBL6366878 0.83 ACP3 (0.47) SMN1; SMN2MEN1KMT2AACP3CPN1
SCHEMBL4807273 0.83 ALDH1A1 (0.42) MEN1KMT2AACP3GAATDP1
SCHEMBL3876478 0.82 SMN1; SMN2 (0.54) SMN1; SMN2MEN1KMT2AGAAPOLB
SCHEMBL12294613 0.82 SMN1; SMN2 (0.54) SMN1; SMN2MEN1KMT2AGAAPOLB
SCHEMBL12294610 0.82 SMN1; SMN2 (0.54) SMN1; SMN2MEN1KMT2AGAAPOLB

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 16 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
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
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 SMN1; SMN2 1459/4885MEN1 1705/4885KMT2A 2927/4885
US-20060014817-A1 CCK-1 receptor modulators CCKAR, CCKBR, GIPR SMN1; SMN2 4470/4885MEN1 2404/4885KMT2A 4002/4885
US-20040067983-A1 CCK-1 receptor modulators CCKAR, CCKBR, GIPR SMN1; SMN2 4470/4885MEN1 2404/4885KMT2A 4002/4885
US-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration CCKAR, CCKBR, FFAR1 SMN1; SMN2 4607/4885MEN1 4171/4885KMT2A 4582/4885
US-20050026903-A1 CCK-1 receptor modulators CCKAR, CCKBR, GLP1R SMN1; SMN2 4633/4885MEN1 2294/4885KMT2A 2877/4885

“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.