SCHEMBL792363

SCHEMBL792363

CC(=O)c1ccc2c(C)c(C)n(CCc3ccccc3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
POLB P06746 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
KDM4E B2RXH2 2/20 0.49
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
HDAC1 Q13547 4/20 0.45
HDAC8 Q9BY41 4/20 0.45
HDAC6 Q9UBN7 4/20 0.45
HDAC11 Q96DB2 3/20 0.45
HDAC3 O15379 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
MAPT P10636 3/20 0.44

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
SCHEMBL8386913 0.87 HDAC3 (0.56) ALDH1A1MEN1KMT2AHDAC1HDAC8
SCHEMBL792576 0.79 MAPT (0.48) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL792096 0.78 HDAC3 (0.39) ALDH1A1POLBMEN1KMT2AKDM4E
SCHEMBL4506807 0.77 PPARG (0.61) ALDH1A1MEN1KMT2AHDAC1HDAC8
SCHEMBL8388868 0.76 CYP19A1 (0.60) ALDH1A1MEN1KMT2AKDM4EHDAC1
SCHEMBL2161385 0.76 TDP1 (0.61) ALDH1A1POLBMEN1KMT2AKDM4E
SCHEMBL8803334 0.74 ALDH1A1 (0.62) ALDH1A1KDM4ECNR2HDAC1HDAC8
SCHEMBL792499 0.74 NR2F2 (0.41) ALDH1A1MEN1KMT2AKDM4EHDAC1
SCHEMBL12398081 0.72 TDP1 (0.63) ALDH1A1MEN1KMT2AKDM4EHDAC1
SCHEMBL12938933 0.72 HDAC6 (0.68) ALDH1A1POLBKMT2AKDM4ECNR2

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 ALDH1A1 750/4885POLB 77/4885MEN1 4753/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 ALDH1A1 750/4885POLB 77/4885MEN1 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.