SCHEMBL4007320

SCHEMBL4007320

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.46
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 3/20 0.39
TP53 P04637 1/20 0.39
MMP8 P22894 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KCNQ2 O43526 1/20 0.38
GAA P10253 1/20 0.38
PSEN1 P49768 2/20 0.37
PSEN2 P49810 2/20 0.37
APH1B Q8WW43 2/20 0.37
NCSTN Q92542 2/20 0.37
APH1A Q96BI3 2/20 0.37
PSENEN Q9NZ42 2/20 0.37

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
SCHEMBL5099068 0.87 TDP1 (0.41) CYP2C19TDP1L3MBTL1ALDH1A1TP53
SCHEMBL10473835 0.86 CYP2C19 (0.44) CYP2C19L3MBTL1MAPK1ALDH1A1MAPT
SCHEMBL8669701 0.85 CYP2C19 (0.65) CYP2C19MMP8KDM4EMAPTLMNA
SCHEMBL23688603 0.85 CYP2C19 (0.65) CYP2C19MMP8KDM4EMAPTLMNA
SCHEMBL23688606 0.85 CYP2C19 (0.65) CYP2C19MMP8KDM4EMAPTLMNA
SCHEMBL17080058 0.84 CYP2C19 (0.68) CYP2C19TDP1TP53SMN1; SMN2KCNQ2
SCHEMBL13946679 0.82 CYP2C19 (0.49) CYP2C19TDP1TP53LMNAKCNQ2
SCHEMBL4807273 0.79 ALDH1A1 (0.42) TDP1L3MBTL1MAPK1ALDH1A1TP53
SCHEMBL7492398 0.79 SLC6A3 (0.48) CYP2C19MAPK1ALDH1A1MAPTHTT
SCHEMBL3834366 0.78 HIF1A (0.50) CYP2C19ALDH1A1KDM4EMAPTHTT

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 26 patents — showing the first 20. 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
US-7456208-B2 CCK-1 receptor modulators JANSSEN PHARMACEUTICA N.V. (BG) 2008-11-25 US disclosed
US-7456208-B2 CCK-1 receptor modulators JANSSEN PHARMACEUTICA N.V. (BG) 2008-11-25 US disclosed
US-7456208-B2 CCK-1 receptor modulators JANSSEN PHARMACEUTICA N.V. (BG) 2008-11-25 US disclosed
US-20070249698-A1 CCK-1 Receptor Modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-25 US disclosed
US-20070249698-A1 CCK-1 Receptor Modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-25 US disclosed
US-20070249698-A1 CCK-1 Receptor Modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-25 US 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
US-20050197377-A1 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-09-08 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 (7 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 CYP2C19 190/4885TDP1 2703/4885L3MBTL1 2437/4885
US-20060014817-A1 CCK-1 receptor modulators CCKAR, CCKBR, GIPR CYP2C19 1256/4885TDP1 3967/4885L3MBTL1 3369/4885
US-20050197377-A1 CCK-1 receptor modulators CCKAR, CCKBR, GIPR CYP2C19 2590/4885TDP1 2913/4885L3MBTL1 1941/4885
US-20040067983-A1 CCK-1 receptor modulators CCKAR, CCKBR, GIPR CYP2C19 1256/4885TDP1 3967/4885L3MBTL1 3369/4885
US-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration CCKAR, CCKBR, FFAR1 CYP2C19 720/4885TDP1 4321/4885L3MBTL1 2588/4885
US-20070249698-A1 CCK-1 Receptor Modulators CCKAR, CCKBR, GIPR CYP2C19 2590/4885TDP1 2913/4885L3MBTL1 1941/4885
US-20050026903-A1 CCK-1 receptor modulators CCKAR, CCKBR, GLP1R CYP2C19 511/4885TDP1 4296/4885L3MBTL1 3656/4885

“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.