SCHEMBL578441

SCHEMBL578441

COc1ccc(-c2cncc3ccc(C(=O)OCC[Si](C)(C)C)cc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.45
CYP11B2 P19099 4/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2B6 P20813 1/20 0.45
CYP2C19 P33261 1/20 0.45
SLC22A12 Q96S37 5/20 0.44
CCNC P24863 4/20 0.41
CDK8 P49336 4/20 0.41
MAP4K4 O95819 1/20 0.41
CHEK1 O14757 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL578747 0.89 SLC22A12 (0.46) CYP1A2CYP2D6CYP2C19SLC22A12CCNC
SCHEMBL578953 0.88 SLC22A12 (0.45) SLC22A12CCNCCDK8
SCHEMBL578297 0.87 SLC22A12 (0.41) SLC22A12CCNCCDK8
SCHEMBL578413 0.86 SLC22A12 (0.43) SLC22A12CCNCCDK8
SCHEMBL578723 0.81 SLC22A12 (0.39) CYP3A4SLC22A12CCNCCDK8
SCHEMBL618500 0.81 SLC22A12 (0.39) CYP3A4SLC22A12CCNCCDK8
SCHEMBL578695 0.80 SLC22A12 (0.38) SLC22A12CCNCCDK8
SCHEMBL578334 0.80 ACVR1 (0.48) SLC22A12CCNCCDK8CHEK1
SCHEMBL578333 0.79 MAP4K4 (0.61) CYP11B1CYP11B2CYP1A2CYP3A4CYP2D6
SCHEMBL1316267 0.79 KDM4E (0.39) CYP1A2CYP2D6CYP2C19

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 CYP11B1 1332/4885CYP11B2 1520/4885CYP1A2 4723/4885

“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.