SCHEMBL12889807

SCHEMBL12889807

COC1CCCC1OCC(C)C

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
CTSV O60911 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
CTSC P53634 1/20 0.36
CTSF Q9UBX1 1/20 0.36

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
SCHEMBL12889811 0.91 CTSV (0.38) KDM4ECTSVCTSLCTSBCTSS
SCHEMBL3185516 0.86 CTSV (0.40) KDM4ECTSVCTSLCTSBCTSS
SCHEMBL12890134 0.83 CTSV (0.36) CTSVCTSLCTSBCTSSCTSK
SCHEMBL15119450 0.81 CTSV (0.35) KDM4ECTSVCTSLCTSBCTSS
SCHEMBL12864078 0.81 CTSV (0.35) CTSVCTSLCTSBCTSSCTSK
SCHEMBL8969283 0.77 CTSV (0.38) CTSVCTSLCTSBCTSSCTSK
SCHEMBL26039152 0.77 CTSV (0.38) CTSVCTSLCTSBCTSSCTSK
SCHEMBL5481927 0.75
SCHEMBL9197226 0.75
SCHEMBL15062108 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8936781-B2 Macrocyclic compounds as hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-01-20 US disclosed
US-20110033420-A1 MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-02-10 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-20110033420-A1 MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS CTSC, HAVCR2, DPP4 KDM4E 1076/4885CTSV 11/4885CTSL 21/4885

“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.