SCHEMBL803860

SCHEMBL803860

COOCc1ccc2c(C3CCCCC3)c3n(c2c1)CCOc1cc(O)ccc1-3

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.37
MMP12 P39900 1/20 0.37
SCN9A Q15858 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
ESR1 P03372 6/20 0.31
ESR2 Q92731 5/20 0.31
NR1I2 O75469 1/20 0.30

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
SCHEMBL803906 0.90 PRKCA (0.44) PRKCAMMP12SCN9ANR1I2
SCHEMBL10283177 0.85 MAOB (0.44) PRKCAMMP12MAOAMAOB
SCHEMBL803702 0.85 PRKCA (0.36) PRKCAMMP12SCN9ANR1I2
SCHEMBL792695 0.83 PRKCA (0.39) PRKCAMMP12SCN9AMAOAMAOB
SCHEMBL14263678 0.82 PRKCA (0.34) PRKCAMMP12SCN9A
SCHEMBL771864 0.81 PRKCA (0.44) PRKCAMMP12SCN9ANR1I2
SCHEMBL12510208 0.81 PRKCA (0.34) PRKCAMMP12SCN9ANR1I2
SCHEMBL14606930 0.80 PRKCA (0.37) PRKCAMMP12NR1I2
SCHEMBL804243 0.80 PRKCA (0.46) PRKCAMMP12SCN9ANR1I2
SCHEMBL803769 0.78 TNIK (0.35) PRKCAMMP12NR1I2

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 3 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
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 PRKCA 2404/4885MMP12 1013/4885SCN9A 3087/4885

“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.