SCHEMBL791775

SCHEMBL791775

C[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(/C=C/C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
RAB9A P51151 3/20 0.47
POLB P06746 1/20 0.47
CYP2C19 P33261 1/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 2/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
ALDH1A1 P00352 1/20 0.41
CA12 O43570 1/20 0.41
AKR1B10 O60218 1/20 0.41

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
SCHEMBL791774 0.78 NAMPT (0.53) SMN1; SMN2KDM4ERAB9AMAPTGAA
SCHEMBL889076 0.77 HTT (0.54) HTTSMN1; SMN2KDM4ERAB9APOLB
SCHEMBL889034 0.75 SMN1; SMN2 (0.50) HTTSMN1; SMN2KDM4ERAB9APOLB
SCHEMBL14502566 0.74 KDM4E (0.42) HTTSMN1; SMN2KDM4ERAB9AMAPT
SCHEMBL14502571 0.74 KDM4E (0.42) HTTSMN1; SMN2KDM4ERAB9AMAPT
SCHEMBL1881515 0.72 MAPT (0.69) HTTSMN1; SMN2KDM4ERAB9APOLB
SCHEMBL2134110 0.72 MAPT (0.69) HTTSMN1; SMN2KDM4ERAB9APOLB
SCHEMBL14533039 0.72 MEN1 (0.38) KDM4ERAB9APOLBMAPTKMT2A
SCHEMBL14224001 0.71 HTT (0.47) HTTSMN1; SMN2KDM4ERAB9APOLB
Methyl Alcohol SCHEMBL8740652 0.70 MAPT (0.67) HTTSMN1; SMN2KDM4ERAB9APOLB

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 5 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-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-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 HTT 1606/4885SMN1; SMN2 4306/4885KDM4E 2725/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 HTT 1606/4885SMN1; SMN2 4306/4885KDM4E 2725/4885

“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.