SCHEMBL19110976

SCHEMBL19110976

C=C(OC)C1CC(O)C=C1C(=O)OC

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.35
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 4/20 0.33
GAA P10253 4/20 0.33
HPGD P15428 3/20 0.33
CASP1 P29466 3/20 0.33
CASP7 P55210 3/20 0.33
HSD17B10 Q99714 3/20 0.33
ATM Q13315 2/20 0.33
TSHR P16473 1/20 0.33
KCNH2 Q12809 1/20 0.33
GLA P06280 2/20 0.31
PTPN1 P18031 1/20 0.31
POLB P06746 1/20 0.30
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
RCE1 Q9Y256 1/20 0.30

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
SCHEMBL1101940 0.83 TLR4 (0.37) TLR4KDM4EALDH1A1GAAHPGD
SCHEMBL5741678 0.83 TLR4 (0.37) TLR4KDM4EALDH1A1GAAHPGD
SCHEMBL1101682 0.83 KCNH2 (0.37) TLR4KDM4EALDH1A1GAAHPGD
SCHEMBL2837658 0.83 TLR4 (0.37) TLR4KDM4EALDH1A1GAAHPGD
SCHEMBL20383516 0.83 KCNH2 (0.37) TLR4KDM4EALDH1A1GAAHPGD
SCHEMBL13268107 0.72 TLR4 (0.37) TLR4KDM4EALDH1A1GAAHPGD
SCHEMBL21649542 0.71 TLR4 (0.39) TLR4KDM4EALDH1A1GAAHPGD
SCHEMBL21649543 0.70 TLR4 (0.38) TLR4KDM4EALDH1A1GAAHPGD
SCHEMBL3306761 0.69 CYP3A4 (0.34) HSD17B10ATMTSHRMAPK1
SCHEMBL19114404 0.68 KCNH2 (0.39) TLR4KDM4EALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170196849-A1 HCV NS-3 SERINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2017-07-13 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 (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-20170196849-A1 HCV NS-3 SERINE PROTEASE INHIBITORS HPN, CPN1, PRSS1 TLR4 3769/4885KDM4E 4633/4885ALDH1A1 4292/4885

“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.