SCHEMBL13614183

SCHEMBL13614183

CC(=O)[C@H]1CCCC[C@@H]1C

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.62
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RAB9A P51151 1/20 0.33
GAA P10253 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
OPRM1 P35372 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
USP2 O75604 1/20 0.32
RECQL P46063 1/20 0.31

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
SCHEMBL13435758 1.00 EPHX1 (0.62) EPHX1CA1CA2CA4TAS1R3
SCHEMBL16409187 1.00 EPHX1 (0.62) EPHX1CA1CA2CA4TAS1R3
SCHEMBL10066920 1.00 EPHX1 (0.62) EPHX1CA1CA2CA4TAS1R3
SCHEMBL8229502 1.00 EPHX1 (0.62) EPHX1CA1CA2CA4TAS1R3
SCHEMBL15214755 0.97 EPHX1 (0.60) EPHX1CA1CA2CA4TAS1R3
SCHEMBL19139259 0.95
SCHEMBL13201796 0.95
SCHEMBL10149315 0.95
SCHEMBL14328348 0.95
SCHEMBL10148144 0.95

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-06-09 US disclosed
US-20150297568-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-10-22 US disclosed
US-20150023913-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2015-01-22 US disclosed
EP-1432700-B1 SPIRO-HYDANTOIN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BRISTOL MYERS SQUIBB CO (US) 2009-11-04 EP 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 (3 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-20150023913-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 EPHX1 4506/4885CA1 4815/4885CA2 4743/4885
US-20150297568-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 EPHX1 4506/4885CA1 4815/4885CA2 4743/4885
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS EPHX1 4356/4885CA1 4760/4885CA2 4699/4885

“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.