SCHEMBL792574

SCHEMBL792574

CCn1c(CCC=O)c(C)c2ccc(C(C)=O)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 1/20 0.35
HPGD P15428 5/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 5/20 0.33
RAB9A P51151 3/20 0.33
METAP2 P50579 1/20 0.33
NPC1 O15118 1/20 0.33
KDM4E B2RXH2 4/20 0.33
HTT P42858 3/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
USP2 O75604 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
POLB P06746 1/20 0.32
ROCK2 O75116 1/20 0.32
THRB P10828 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
SCHEMBL792576 0.78 MAPT (0.48) HPGDALDH1A1MAPTRAB9AKDM4E
SCHEMBL21135536 0.70 ALDH1A1 (0.59) HPGDALDH1A1MAPTRAB9AKDM4E
SCHEMBL29808829 0.70 ALDH1A1 (0.59) HPGDALDH1A1MAPTRAB9AKDM4E
SCHEMBL792096 0.69 HDAC3 (0.39) RPS6KA5HPGDALDH1A1MAPTRAB9A
SCHEMBL153044 0.67 KDM4E (0.65) HPGDALDH1A1MAPTKDM4EHTT
SCHEMBL29540056 0.67 KDM4E (0.65) HPGDALDH1A1MAPTKDM4EHTT
SCHEMBL792363 0.66 ALDH1A1 (0.52) HPGDALDH1A1MAPTKDM4EKMT2A
SCHEMBL8386913 0.65 HDAC3 (0.56) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL30879656 0.64 KDM4E (0.56) HPGDALDH1A1MAPTRAB9AKDM4E
SCHEMBL13539146 0.64 KDM4E (0.56) HPGDALDH1A1MAPTRAB9AKDM4E

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-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 RPS6KA5 2423/4885HPGD 2752/4885ALDH1A1 750/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 RPS6KA5 2423/4885HPGD 2752/4885ALDH1A1 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.