SCHEMBL792576

SCHEMBL792576

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.48
KMT2A Q03164 6/20 0.48
MEN1 O00255 4/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.48
RECQL P46063 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
RAB9A P51151 1/20 0.47
TP53 P04637 3/20 0.44
RORC P51449 1/20 0.44
PKM P14618 1/20 0.43

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
SCHEMBL792096 0.86 HDAC3 (0.39) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL8386913 0.81 HDAC3 (0.56) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL792363 0.79 ALDH1A1 (0.52) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL792574 0.78 RPS6KA5 (0.35) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL21135536 0.78 ALDH1A1 (0.59) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL29808829 0.78 ALDH1A1 (0.59) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL792499 0.76 NR2F2 (0.41) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL14448731 0.76 PPARG (0.43) ALDH1A1HPGD
SCHEMBL335702 0.75 RAB9A (0.63) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL29540056 0.75 KDM4E (0.65) MAPTKMT2AMEN1KDM4EALDH1A1

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 MAPT 3389/4885KMT2A 1865/4885MEN1 4753/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 MAPT 3389/4885KMT2A 1865/4885MEN1 4753/4885

“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.