SCHEMBL4003542

SCHEMBL4003542

CCOC(=O)C(=O)/C=C(\O)c1ccc(Cl)c(Cl)c1.[LiH]

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
TSHR P16473 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
PTPN1 P18031 1/20 0.40
HPGD P15428 1/20 0.40
SRD5A2 P31213 1/20 0.40
MAPK1 P28482 2/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL4003545 1.00 MAPT (0.46) MAPTALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL13980028 0.99 MAPT (0.47) MAPTALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL5902813 0.89 ALDH1A1 (0.46) MAPTALDH1A1KDM4ESMN1; SMN2PTPN1
SCHEMBL5902812 0.89 ALDH1A1 (0.46) MAPTALDH1A1KDM4ESMN1; SMN2PTPN1
SCHEMBL1765036 0.88 MAPT (0.43) MAPTALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL12596944 0.86 MAPT (0.43) MAPTALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL17163920 0.84 ALDH1A1 (0.53) MAPTALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL3681348 0.82 KDM4E (0.62) MAPTALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL8367177 0.82 KDM4E (0.62) MAPTALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL3681350 0.82 KDM4E (0.62) MAPTALDH1A1KDM4ETSHRSMN1; SMN2

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 1572/4885KDM4E 3706/4885
US-20060014817-A1 CCK-1 receptor modulators CCKAR, CCKBR, GIPR MAPT 4740/4885ALDH1A1 2402/4885KDM4E 3601/4885
US-20040067983-A1 CCK-1 receptor modulators CCKAR, CCKBR, GIPR MAPT 4740/4885ALDH1A1 2402/4885KDM4E 3601/4885
US-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration CCKAR, CCKBR, FFAR1 MAPT 4782/4885ALDH1A1 597/4885KDM4E 4599/4885
US-20050026903-A1 CCK-1 receptor modulators CCKAR, CCKBR, GLP1R MAPT 4745/4885ALDH1A1 1501/4885KDM4E 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.