SCHEMBL791326

SCHEMBL791326

COc1cccc(OCc2ccc(C(C)(C)C)cc2)c1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.69
APP P05067 2/20 0.67
NR4A2 P43354 2/20 0.63
NR4A1 P22736 1/20 0.63
NR4A3 Q92570 1/20 0.63
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MRGPRX4 Q96LA9 1/20 0.51
PTPN2 P17706 1/20 0.51
PTPN1 P18031 1/20 0.51
PTPRB P23467 1/20 0.51
PTPN6 P29350 1/20 0.51
PTPN11 Q06124 1/20 0.51
MAPT P10636 1/20 0.50
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50

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
SCHEMBL21098984 0.88 APP (0.60) MAOBAPPNR4A2NR4A1NR4A3
SCHEMBL13439679 0.86 MAOB (0.68) MAOBAPPNR4A2NR4A1NR4A3
SCHEMBL791923 0.86 MAOB (0.69) MAOBAPPPTPN2PTPN1PTPRB
SCHEMBL13439834 0.86 NPC1 (0.58) MAOBAPPNR4A2NR4A1NR4A3
SCHEMBL27485034 0.85 NR4A2 (0.69) MAOBAPPNR4A2NR4A1NR4A3
SCHEMBL18161429 0.84 NR4A2 (0.63) MAOBAPPNR4A2NR4A1NR4A3
SCHEMBL13439792 0.83 APP (0.72) MAOBAPPNR4A2NPC1RAB9A
SCHEMBL78163 0.83 MAOB (0.57) MAOBAPPNR4A2NR4A1NR4A3
SCHEMBL13439849 0.83 MAOB (0.61) MAOBAPPNPC1RAB9AMRGPRX4
SCHEMBL4639708 0.83 MAOB (0.66) MAOBAPPNR4A2NR4A1NR4A3

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 12 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-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 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
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 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
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 (4 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 MAOB 2789/4885APP 4570/4885NR4A2 3195/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI MAOB 2756/4885APP 4656/4885NR4A2 3955/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI MAOB 2756/4885APP 4656/4885NR4A2 3955/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 MAOB 2789/4885APP 4570/4885NR4A2 3195/4885

“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.