SCHEMBL4014499

SCHEMBL4014499

CCOC(=O)C(CC#CC(=O)c1ccc(Br)cc1)c1cccc(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 3/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TDP1 Q9NUW8 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
ELANE P08246 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 2/20 0.35
MAPK1 P28482 2/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.34
S1PR4 O95977 1/20 0.34
S1PR1 P21453 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PTGFR P43088 3/20 0.34

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
SCHEMBL4003598 0.85 CTSB (0.39) MAPTALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL4807249 0.78 CTSB (0.36) ALDH1A1HPGDSMN1; SMN2TDP1L3MBTL1
SCHEMBL13980100 0.78 CTSB (0.36) ALDH1A1HPGDSMN1; SMN2TDP1L3MBTL1
SCHEMBL4808176 0.78 CTSB (0.36) ALDH1A1HPGDSMN1; SMN2TDP1L3MBTL1
SCHEMBL4806559 0.76 TDP1 (0.38) MAPTALDH1A1KMT2ATDP1ELANE
SCHEMBL4802868 0.76 TDP1 (0.41) MAPTALDH1A1NPSR1RAB9ANPC1
SCHEMBL20930939 0.73 ALDH1A1 (0.47) MAPTALDH1A1HPGDNPSR1TDP1
SCHEMBL5099068 0.72 TDP1 (0.41) MAPTALDH1A1NPSR1RAB9ANPC1
SCHEMBL4007320 0.71 CYP2C19 (0.46) MAPTALDH1A1HPGDSMN1; SMN2TDP1
SCHEMBL4807273 0.70 ALDH1A1 (0.42) MAPTALDH1A1KMT2ANPC1TDP1

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 MAPT 2577/4885ALDH1A1 1572/4885KMT2A 2927/4885
US-20060014817-A1 CCK-1 receptor modulators CCKAR, CCKBR, GIPR MAPT 4740/4885ALDH1A1 2402/4885KMT2A 4002/4885
US-20040067983-A1 CCK-1 receptor modulators CCKAR, CCKBR, GIPR MAPT 4740/4885ALDH1A1 2402/4885KMT2A 4002/4885
US-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration CCKAR, CCKBR, FFAR1 MAPT 4782/4885ALDH1A1 597/4885KMT2A 4582/4885
US-20050026903-A1 CCK-1 receptor modulators CCKAR, CCKBR, GLP1R MAPT 4745/4885ALDH1A1 1501/4885KMT2A 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.