SCHEMBL791736

SCHEMBL791736

COCc1ccc(-c2ccc(Cl)cc2COC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.47
FFAR4 Q5NUL3 4/20 0.47
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 1/20 0.38
IDO1 P14902 2/20 0.36
AGXT P21549 2/20 0.36
CNR1 P21554 2/20 0.35
ERN1 O75460 1/20 0.35
ALDH1A1 P00352 1/20 0.34
PTGS2 P35354 1/20 0.34
STAT3 P40763 1/20 0.34
PTGER1 P34995 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
CCR5 P51681 1/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 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
SCHEMBL792102 0.91 FFAR1 (0.44) FFAR1FFAR4MEN1KMT2AATM
SCHEMBL791485 0.90 FFAR1 (0.48) FFAR1FFAR4MEN1KMT2AATM
SCHEMBL792013 0.87 FFAR1 (0.53) FFAR1FFAR4MEN1KMT2AATM
SCHEMBL8434092 0.86 PDK2 (0.39) FFAR1FFAR4MEN1KMT2AERN1
SCHEMBL792016 0.85 FFAR1 (0.41) FFAR1FFAR4CNR1PTGS2NPC1
SCHEMBL792041 0.85 FFAR1 (0.46) FFAR1FFAR4MEN1KMT2AALDH1A1
SCHEMBL791730 0.85 FFAR1 (0.51) FFAR1FFAR4MEN1KMT2AALDH1A1
SCHEMBL791481 0.83 FFAR1 (0.38) FFAR1FFAR4MEN1KMT2AATM
SCHEMBL792012 0.83 CCR9 (0.43) FFAR1FFAR4CNR1HTT
SCHEMBL791996 0.83 SLC6A4 (0.45) FFAR1FFAR4MEN1KMT2AATM

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 FFAR1 4509/4885FFAR4 4537/4885MEN1 4753/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI FFAR1 4693/4885FFAR4 4607/4885MEN1 4807/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI FFAR1 4693/4885FFAR4 4607/4885MEN1 4807/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 FFAR1 4509/4885FFAR4 4537/4885MEN1 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.