SCHEMBL578667

SCHEMBL578667

C[Si](C)(C)CCOC(=O)c1ccc2cncc(-c3ccc(C=CC(=O)N4CCOCC4)cc3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNC P24863 7/20 0.46
CDK8 P49336 7/20 0.46
RAB9A P51151 8/20 0.44
NPC1 O15118 7/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
ICAM1 P05362 1/20 0.41
SELE P16581 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL578666 1.00 CCNC (0.46) CCNCCDK8RAB9ANPC1SMN1; SMN2
SCHEMBL10127845 0.83 ICAM1 (0.50) CCNCCDK8RAB9ANPC1SMN1; SMN2
SCHEMBL618500 0.83 SLC22A12 (0.39) CCNCCDK8
SCHEMBL578723 0.83 SLC22A12 (0.39) CCNCCDK8
SCHEMBL578517 0.83 CCNC (0.44) CCNCCDK8RAB9ANPC1SMN1; SMN2
SCHEMBL578413 0.81 SLC22A12 (0.43) CCNCCDK8RAB9ANPC1SMN1; SMN2
SCHEMBL578334 0.79 ACVR1 (0.48) CCNCCDK8RAB9AALDH1A1
SCHEMBL578747 0.78 SLC22A12 (0.46) CCNCCDK8SMN1; SMN2ALDH1A1TDP1
SCHEMBL578953 0.77 SLC22A12 (0.45) CCNCCDK8RAB9ANPC1SMN1; SMN2
SCHEMBL578441 0.77 CYP11B1 (0.45) CCNCCDK8L3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2418203-B1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP DAIICHI SANKYO CO LTD (JP) 2013-12-11 EP disclosed
US-8410273-B2 Cyclic compound having substituted phenyl group DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-04-02 US disclosed
US-20120040936-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-16 US disclosed
EP-2418203-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP Daiichi Sankyo Company, Limited (JP) 2012-02-15 EP 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 (1 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-20120040936-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP BMP2, BMP4, BMP6 CCNC 1592/4885CDK8 2959/4885RAB9A 805/4885

“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.