SCHEMBL804200

SCHEMBL804200

CC(C)COc1ccc2c(c1)N(CCN1CCCC(C)C1)CCn1c-2c(C2CCCCC2)c2ccc(C(=O)O)cc21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.40
MMP12 P39900 1/20 0.40
KCNH2 Q12809 2/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HRH3 Q9Y5N1 10/20 0.36
ACKR3 P25106 1/20 0.36
CCR5 P51681 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
TSHR P16473 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
SCHEMBL12428343 0.93 POLB (0.43) PRKCAMMP12KCNH2POLBALDH1A1
SCHEMBL804220 0.92 PRKCA (0.41) PRKCAMMP12ALDH1A1LMNAKDM4E
SCHEMBL12428353 0.92 PRKCA (0.39) PRKCAMMP12KCNH2POLBALDH1A1
SCHEMBL12428358 0.91 PRKCA (0.39) PRKCAMMP12KCNH2POLBALDH1A1
SCHEMBL12428247 0.90 PRKCA (0.43) PRKCAMMP12KCNH2ALDH1A1LMNA
SCHEMBL12428157 0.89 PRKCA (0.43) PRKCAMMP12KCNH2ALDH1A1LMNA
SCHEMBL803751 0.87 PRKCA (0.44) PRKCAMMP12KCNH2ALDH1A1LMNA
SCHEMBL12427964 0.86 PRKCA (0.43) PRKCAMMP12KCNH2POLBALDH1A1
SCHEMBL12427886 0.86 PRKCA (0.43) PRKCAMMP12KCNH2ALDH1A1LMNA
SCHEMBL12428156 0.86 PRKCA (0.43) PRKCAMMP12KCNH2ALDH1A1LMNA

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
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 1013/4885KCNH2 3813/4885

“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.