SCHEMBL774883

SCHEMBL774883

COC1c2ccccc2-c2c(-c3ccccc3)c3ccc(C(=O)O)cc3n21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.39
KDM4E B2RXH2 1/20 0.36
EGFR P00533 1/20 0.36
DPP4 P27487 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
TTR P02766 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
FABP3 P05413 1/20 0.34
FABP4 P15090 1/20 0.34
FABP5 Q01469 1/20 0.34
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL772512 0.84 ALDH1A1 (0.37) MAPK8KDM4EDPP4ALDH1A1KMT2A
SCHEMBL3242890 0.80 MEN1 (0.42) MAPK8KDM4EEGFRALDH1A1TDP1
SCHEMBL5927627 0.79 KDM4E (0.40) MAPK8KDM4EALDH1A1KMT2AGAA
SCHEMBL5927376 0.75 ABCB1 (0.36) MAPK8KDM4EDPP4ALDH1A1TDP1
SCHEMBL5927632 0.72 P2RY14 (0.49) KMT2APOLBRXRARXRBRXRG
SCHEMBL3907053 0.71 MAPK8 (0.41) MAPK8KDM4EEGFRALDH1A1TDP1
SCHEMBL772287 0.70 SRD5A2 (0.43) ALDH1A1KMT2APOLBTTRFABP4
SCHEMBL772131 0.68 SRD5A2 (0.47) KDM4EALDH1A1KMT2APOLBTTR
SCHEMBL791318 0.67 ALDH1A1 (0.37) MAPK8KDM4EALDH1A1KMT2AFABP4
SCHEMBL4823231 0.66 ALDH1A1 (0.43) KDM4EEGFRALDH1A1TDP1KMT2A

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 6 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
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
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 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 (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 MAPK8 1562/4885KDM4E 2725/4885EGFR 3727/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 MAPK8 1562/4885KDM4E 2725/4885EGFR 3727/4885

“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.