SCHEMBL792064

SCHEMBL792064

COCc1cc(OC)ccc1-c1ccc(C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
CYP2C8 P10632 1/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
RXRA P19793 1/20 0.53
SRD5A2 P31213 1/20 0.51
KDM4E B2RXH2 2/20 0.50
MAP4K4 O95819 1/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 1/20 0.49
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
EGFR P00533 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HSD17B10 Q99714 1/20 0.46
CHEK1 O14757 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL2997363 0.88 SRD5A2 (0.63) SMN1; SMN2CYP2C8CA1CA2RXRA
SCHEMBL22861483 0.85 EGFR (0.50) CYP2C8CA1CA2RXRASRD5A2
SCHEMBL792051 0.83 SRD5A2 (0.55) SMN1; SMN2RXRASRD5A2KDM4EMAP4K4
SCHEMBL6715880 0.81 RARB (0.45) SMN1; SMN2RXRASRD5A2NPC1POLB
SCHEMBL27736080 0.81 EGFR (0.53) CA1CA2RXRAEGFRALDH1A1
SCHEMBL792129 0.80 MRGPRX4 (0.48) RXRASRD5A2MAP4K4NPC1RAB9A
SCHEMBL2997357 0.79 SMN1; SMN2 (0.56) SMN1; SMN2CYP2C8CA1CA2RXRA
SCHEMBL791494 0.79 MEN1 (0.50) SMN1; SMN2CA1CA2KDM4ENPC1
SCHEMBL2034604 0.79 FOLH1 (0.52) RXRASRD5A2KMT2AEGFRHSD17B10
SCHEMBL27556868 0.78 FFAR1 (0.46) SMN1; SMN2CYP2C8SRD5A2MAP4K4NPC1

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-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
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP 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 SMN1; SMN2 4306/4885CYP2C8 916/4885CA1 3203/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI SMN1; SMN2 4383/4885CYP2C8 767/4885CA1 4483/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI SMN1; SMN2 4383/4885CYP2C8 767/4885CA1 4483/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 SMN1; SMN2 4306/4885CYP2C8 916/4885CA1 3203/4885

“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.