SCHEMBL578747

SCHEMBL578747

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 8/20 0.46
CCNC P24863 6/20 0.43
CDK8 P49336 6/20 0.43
ESR1 P03372 3/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CHRM1 P11229 1/20 0.40
SLC6A2 P23975 1/20 0.40
KDR P35968 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
NR1H2 P55055 1/20 0.39
RNASEL Q05823 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL578953 0.90 SLC22A12 (0.45) SLC22A12CCNCCDK8TSHRSMN1; SMN2
SCHEMBL578441 0.89 CYP11B1 (0.45) SLC22A12CCNCCDK8CYP1A2CYP2D6
SCHEMBL578413 0.88 SLC22A12 (0.43) SLC22A12CCNCCDK8ALDH1A1SMN1; SMN2
SCHEMBL578297 0.85 SLC22A12 (0.41) SLC22A12CCNCCDK8TSHRALDH1A1
SCHEMBL1316267 0.83 KDM4E (0.39) ESR1TSHRALDH1A1CHRM1SLC6A2
SCHEMBL618500 0.82 SLC22A12 (0.39) SLC22A12CCNCCDK8ESR1ESR2
SCHEMBL578723 0.82 SLC22A12 (0.39) SLC22A12CCNCCDK8ESR1ESR2
SCHEMBL578334 0.82 ACVR1 (0.48) SLC22A12CCNCCDK8TSHRALDH1A1
SCHEMBL578695 0.82 SLC22A12 (0.38) SLC22A12CCNCCDK8
SCHEMBL578346 0.80 CCNC (0.42) SLC22A12CCNCCDK8SMN1; 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 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 SLC22A12 1300/4885CCNC 1592/4885CDK8 2959/4885

“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.