SCHEMBL578716

SCHEMBL578716

CC(C)(C)OC(=O)c1ccc(OCCOc2ccc(-c3cncc4ccc(C(N)=O)nc34)cc2F)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNC P24863 8/20 0.42
CDK8 P49336 8/20 0.42
CHEK2 O96017 3/20 0.35
GRM2 Q14416 2/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FEN1 P39748 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
SCN9A Q15858 2/20 0.33
FPR2 P25090 1/20 0.33
AR P10275 1/20 0.33
TMPRSS15 P98073 1/20 0.33

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
SCHEMBL10127743 0.88 CCNC (0.43) CCNCCDK8CHEK2GRM2FEN1
Hydrochloric Acid SCHEMBL585959 0.87 CCNC (0.43) CCNCCDK8CHEK2GRM2FEN1
SCHEMBL10138431 0.85 CCNC (0.41) CCNCCDK8CHEK2GRM2FEN1
SCHEMBL10138468 0.84 CCNC (0.46) CCNCCDK8GRM2FFAR4
SCHEMBL10138415 0.82 CCNC (0.52) CCNCCDK8GRM2FEN1
SCHEMBL14823067 0.82 CCNC (0.47) CCNCCDK8GRM2SMN1; SMN2
SCHEMBL578513 0.81 CCNC (0.48) CCNCCDK8GRM2FEN1
SCHEMBL10138543 0.80 CCNC (0.53) CCNCCDK8CHEK2KDM4EALDH1A1
SCHEMBL10138589 0.78 CCNC (0.48) CCNCCDK8CHEK2
SCHEMBL10138499 0.78 CCNC (0.43) CCNCCDK8GRM2FFAR4SCN9A

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 2959/4885CHEK2 3070/4885

“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.