SCHEMBL859899

SCHEMBL859899

COC(=O)c1cccc(-c2cccc(O)c2)n1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B14 Q9BPX1 4/20 0.57
HSD17B1 P14061 4/20 0.50
HSD17B2 P37059 4/20 0.50
CNR2 P34972 3/20 0.47
ABL1 P00519 1/20 0.47
CYP1A2 P05177 2/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
RECQL P46063 1/20 0.47
FYN P06241 1/20 0.46
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FAAH O00519 1/20 0.43
MLLT1 Q03111 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
SCHEMBL1179891 0.87 HSD17B1 (0.47) HSD17B14HSD17B1HSD17B2CNR2ABL1
SCHEMBL483444 0.84 MAPT (0.56) HSD17B14HSD17B1HSD17B2CYP1A2GAA
SCHEMBL1260197 0.84 ALDH1A1 (0.52) CNR2GAARAB9ASMN1; SMN2FAAH
SCHEMBL31507571 0.84 CNR2 (0.46) CNR2CYP1A2GAAMAPTRECQL
SCHEMBL19899368 0.84 CNR2 (0.46) CNR2CYP1A2GAAMAPTRECQL
SCHEMBL4592907 0.84 CNR2 (0.65) CNR2
SCHEMBL6439408 0.84 MAPT (0.55) CNR2CYP1A2GAAMAPTRECQL
SCHEMBL20929247 0.82 TRPV3 (0.47) CNR2CYP1A2GAAMAPTRECQL
SCHEMBL23037197 0.82 MAPT (0.54) CYP1A2GAAMAPTRECQLNPC1
SCHEMBL29595815 0.82 MAPT (0.54) CYP1A2GAAMAPTRECQLNPC1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703700-B2 Bimacrocylic HCV NS3 protease inhibitors SEQUOIA PHARMACEUTICALS, INC. (US) 2014-04-22 US disclosed
US-20120141414-A1 Bimacrocylic HCV NS3 Protease Inhibitors SEQUOIA PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
US-20120141414-A1 Bimacrocylic HCV NS3 Protease Inhibitors SEQUOIA PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
US-20120141414-A1 Bimacrocylic HCV NS3 Protease Inhibitors SEQUOIA PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
EP-2432318-A1 BIMACROCYCLIC HCV NS3 PROTEASE INHIBITORS Sequoia Pharmaceuticals, Inc. (US) 2012-03-28 EP disclosed
WO-2010135748-A1 BIMACROCYCLIC HCV NS3 PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS INC. (US) 2010-11-25 WO disclosed
WO-2010135748-A1 BIMACROCYCLIC HCV NS3 PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS INC. (US) 2010-11-25 WO 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 (1 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-20120141414-A1 Bimacrocylic HCV NS3 Protease Inhibitors HAVCR2, CTRC, CTSC HSD17B14 900/4885HSD17B1 2143/4885HSD17B2 2682/4885

“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.