SCHEMBL774602

SCHEMBL774602

COc1ccc2c(c1)OCCn1c-2c(C2CCCCC2)c2ccc(C(=O)N[C@@](C)(Cc3ccc(OCCCO)cc3)C(=O)O)cc21

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 5/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PRKCA P17252 1/20 0.38
MMP12 P39900 1/20 0.38
KCNH2 Q12809 7/20 0.38
SCN5A Q14524 2/20 0.37
SCN9A Q15858 3/20 0.37
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
PPARG P37231 2/20 0.34
PPARA Q07869 1/20 0.34

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
SCHEMBL772418 0.96 NR1I2 (0.38) NR1I2CYP3A4CYP2C9CYP2C19PRKCA
SCHEMBL775190 0.93 ESR1 (0.40) NR1I2CYP3A4CYP2C9CYP2C19PRKCA
SCHEMBL772488 0.92 NR1I2 (0.40) NR1I2CYP3A4CYP2C9CYP2C19PRKCA
SCHEMBL771380 0.92 NR1I2 (0.40) NR1I2CYP3A4CYP2C9CYP2C19PRKCA
SCHEMBL771659 0.91 NR1I2 (0.39) NR1I2CYP3A4CYP2C9CYP2C19PRKCA
SCHEMBL771930 0.91 NR1I2 (0.38) NR1I2CYP3A4CYP2C9CYP2C19PRKCA
SCHEMBL772072 0.91 NR1I2 (0.37) NR1I2CYP3A4CYP2C9CYP2C19PRKCA
SCHEMBL772966 0.91 NR1I2 (0.40) NR1I2CYP3A4CYP2C9CYP2C19PRKCA
SCHEMBL2202854 0.90 NR1I2 (0.39) NR1I2CYP3A4CYP2C9CYP2C19PRKCA
SCHEMBL771847 0.90 CYP3A4 (0.40) NR1I2CYP3A4CYP2C9CYP2C19PRKCA

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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US 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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 NR1I2 1189/4885CYP3A4 1341/4885CYP2C9 976/4885

“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.