SCHEMBL4113177

SCHEMBL4113177

COc1cccc([C@@H]2S[C@@H](CCO)C(=O)Nc3ccc(Cl)cc32)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDYL2 Q8N8U2 1/20 0.43
CDYL Q9Y232 1/20 0.43
TSHR P16473 4/20 0.39
FDFT1 P37268 2/20 0.39
MAPT P10636 3/20 0.38
TP53 P04637 2/20 0.38
PGR P06401 1/20 0.38
CASP1 P29466 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 0.37
SLC8B1 Q6J4K2 1/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35

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
SCHEMBL4113186 1.00 CDYL2 (0.43) CDYL2CDYLTSHRFDFT1MAPT
SCHEMBL4113190 1.00 CDYL2 (0.43) CDYL2CDYLTSHRFDFT1MAPT
SCHEMBL4123256 0.87 CDYL2 (0.46) CDYL2CDYLFDFT1MAPT
SCHEMBL4123249 0.87 CDYL2 (0.46) CDYL2CDYLFDFT1MAPT
SCHEMBL4113428 0.87 CDYL2 (0.46) CDYL2CDYLFDFT1MAPT
SCHEMBL4123398 0.87 CDYL2 (0.46) CDYL2CDYLFDFT1LMNAHSD17B10
SCHEMBL4710206 0.87 CDYL2 (0.46) CDYL2CDYLFDFT1LMNAHSD17B10
SCHEMBL4112411 0.87 CDYL2 (0.46) CDYL2CDYLFDFT1LMNAHSD17B10
SCHEMBL4112406 0.87 CDYL2 (0.46) CDYL2CDYLFDFT1LMNAHSD17B10
SCHEMBL4131199 0.87 CDYL2 (0.46) CDYL2CDYLTSHRFDFT1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
EP-1939205-A1 TRICYCLIC COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-07-02 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-20090181942-A1 TRICYCLIC COMPOUNDS FDFT1, COASY, HMGCR CDYL2 1908/4885CDYL 1152/4885TSHR 1672/4885

“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.