SCHEMBL792596

SCHEMBL792596

Cc1ccc2c(C3CCCCC3)c3n(c2c1)CCOc1c(-c2cccnc2)cccc1-3

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.34
MMP12 P39900 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PABPC1 P11940 1/20 0.34
KCNH2 Q12809 1/20 0.34
PIK3R2 O00459 1/20 0.34
NR1I2 O75469 1/20 0.34
PTGER2 P43116 1/20 0.34
MAP2K4 P45985 1/20 0.33
GAA P10253 1/20 0.33
PRKDC P78527 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
RORC P51449 1/20 0.33
PPARA Q07869 1/20 0.32
NPY5R Q15761 1/20 0.32

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
SCHEMBL804237 0.87 PRKCA (0.46) PRKCAMMP12KCNH2NR1I2RORC
Hydrochloric Acid SCHEMBL771873 0.86 PRKCA (0.46) PRKCAMMP12KCNH2NR1I2RORC
SCHEMBL14572895 0.86 NPC1 (0.35) PRKCAMMP12ALDH1A1KCNH2NR1I2
SCHEMBL774184 0.86 NR1I2 (0.40) PRKCAMMP12KCNH2NR1I2CYP11B1
SCHEMBL803769 0.85 TNIK (0.35) PRKCAMMP12ALDH1A1KCNH2NR1I2
SCHEMBL792592 0.85 KCNH2 (0.33) PRKCAMMP12ALDH1A1KCNH2NR1I2
SCHEMBL792879 0.84 PRKCA (0.38) PRKCAMMP12NR1I2GAAKMT2A
SCHEMBL793023 0.82 PRKCA (0.36) PRKCAMMP12NR1I2SCN9A
SCHEMBL804242 0.80 PRKCA (0.36) PRKCAMMP12NR1I2SCN9A
SCHEMBL792977 0.78 CACNB4 (0.36) PRKCAMMP12ALDH1A1NR1I2GAA

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 PRKCA 2404/4885MMP12 1013/4885ALDH1A1 750/4885

“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.