SCHEMBL4006680

SCHEMBL4006680

COC(=O)Cc1cn(COCC[Si](C)(C)C)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.44
IGF1R P08069 1/20 0.44
SRC P12931 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
FLT3 P36888 1/20 0.44
EPHB4 P54760 1/20 0.44
TEK Q02763 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
POLB P06746 1/20 0.41
ICMT O60725 2/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
CDC25A P30304 1/20 0.40

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
SCHEMBL28764044 0.81 NPC1 (0.46) EGFRIGF1RSRCFLT4KDR
SCHEMBL17782347 0.81 NR4A2 (0.62) KDM4ENPC1GAAMAPTALDH1A1
SCHEMBL16504229 0.79 NR4A2 (0.47) EGFRIGF1RSRCFLT4KDR
SCHEMBL13228230 0.79 NR4A2 (0.61) EGFRGAAMAPTHPGDALDH1A1
SCHEMBL18832024 0.78 ALDH1A1 (0.52) EGFRIGF1RSRCFLT4KDR
SCHEMBL27139837 0.77 KMT2A (0.38) EGFRIGF1RSRCFLT4KDR
SCHEMBL29907301 0.77 KMT2A (0.38) EGFRIGF1RSRCFLT4KDR
SCHEMBL8690315 0.76 S1PR2 (0.58) KDM4EGAAMAPTALDH1A1POLB
SCHEMBL15747713 0.76 CDC25A (0.59) EGFRKDM4EGAAMAPTHPGD
SCHEMBL28836620 0.76 CDC25A (0.52) EGFRKDM4EGAAMAPTHPGD

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 12 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
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
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 EGFR 563/4885IGF1R 167/4885SRC 1925/4885
US-20060014817-A1 CCK-1 receptor modulators CCKAR, CCKBR, GIPR EGFR 154/4885IGF1R 42/4885SRC 1207/4885
US-20040067983-A1 CCK-1 receptor modulators CCKAR, CCKBR, GIPR EGFR 154/4885IGF1R 42/4885SRC 1207/4885
US-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration CCKAR, CCKBR, FFAR1 EGFR 314/4885IGF1R 70/4885SRC 2380/4885
US-20050026903-A1 CCK-1 receptor modulators CCKAR, CCKBR, GLP1R EGFR 122/4885IGF1R 15/4885SRC 894/4885

“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.