SCHEMBL803941

SCHEMBL803941

COOCc1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)O)Oc1ccccc1-3

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.49
MMP12 P39900 1/20 0.49
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NR1I2 O75469 3/20 0.34
CYP2C9 P11712 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 1/20 0.33
SIRT1 Q96EB6 3/20 0.33
SIRT2 Q8IXJ6 2/20 0.33
SCN9A Q15858 2/20 0.33
CMKLR1 Q99788 2/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL804303 0.91 PRKCA (0.45) PRKCAMMP12POLBCYP2C9CYP3A4
SCHEMBL792515 0.84 PRKCA (0.52) PRKCAMMP12POLBL3MBTL1NR1I2
SCHEMBL392730 0.84 PRKCA (0.55) PRKCAMMP12NR1I2CYP2C9CYP3A4
SCHEMBL804243 0.83 PRKCA (0.46) PRKCAMMP12HDAC1HDAC8HDAC6
SCHEMBL394639 0.82 PRKCA (0.63) PRKCAMMP12POLBNR1I2CYP2C9
SCHEMBL14572875 0.82 PRKCA (0.49) PRKCAMMP12POLBL3MBTL1NR1I2
SCHEMBL803906 0.82 PRKCA (0.44) PRKCAMMP12HDAC1HDAC8HDAC6
SCHEMBL393719 0.78 PRKCA (0.52) PRKCAMMP12NR1I2CYP3A4SIRT1
SCHEMBL792760 0.78 PRKCA (0.48) PRKCAMMP12POLBALDH1A1MAPT
SCHEMBL803994 0.78 PRKCA (0.38) PRKCAMMP12HDAC1HDAC8HDAC6

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 1013/4885HDAC1 182/4885

“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.