SCHEMBL771916

SCHEMBL771916

O=C(CN1CCCCC1)Nc1ccccc1-c1cccc2c1OCCn1c-2c(C2CCCCC2)c2ccc(C(=O)O)cc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.46
MMP12 P39900 1/20 0.46
ALDH1A1 P00352 9/20 0.44
KDM4E B2RXH2 5/20 0.41
MAPT P10636 2/20 0.41
TSHR P16473 1/20 0.41
ALOX12 P18054 1/20 0.41
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NR1I2 O75469 1/20 0.39
SCN9A Q15858 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ATM Q13315 1/20 0.38
GAA P10253 1/20 0.37
ROCK2 O75116 1/20 0.37

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
SCHEMBL12429758 0.88 PRKCA (0.46) PRKCAMMP12HPGDNR1I2SCN9A
Hydrochloric Acid SCHEMBL774861 0.87 PRKCA (0.46) PRKCAMMP12HPGDNR1I2SCN9A
SCHEMBL771845 0.84 PRKCA (0.51) PRKCAMMP12NR1I2SCN9A
SCHEMBL12510471 0.84 PRKCA (0.46) PRKCAMMP12HPGDNR1I2SCN9A
SCHEMBL10283222 0.84 PRKCA (0.48) PRKCAMMP12NR1I2SCN9A
Hydrochloric Acid SCHEMBL772936 0.83 PRKCA (0.47) PRKCAMMP12ALDH1A1MAPTNR1I2
Hydrochloric Acid SCHEMBL773342 0.83 PRKCA (0.45) PRKCAMMP12HPGDNR1I2SCN9A
SCHEMBL773877 0.83 PRKCA (0.52) PRKCAMMP12TSHRPOLBNR1I2
SCHEMBL804583 0.82 PRKCA (0.47) PRKCAMMP12ALDH1A1KDM4EPOLB
SCHEMBL773680 0.82 PRKCA (0.49) PRKCAMMP12ALDH1A1KDM4EMAPT

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 7 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-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
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 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 (2 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 PRKCA 2404/4885MMP12 1013/4885ALDH1A1 750/4885
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.