SCHEMBL12139932

SCHEMBL12139932

CCOC(=O)C(NC(=O)OC)[C@H]1CCO[C@@H](C)C1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 1/20 0.34
▸ SMYD3 Q9H7B4 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ L3MBTL1 Q9Y468 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
SCHEMBL10210966 1.00 TRPM8 (0.34) TRPM8SMYD3ALDH1A1L3MBTL1
SCHEMBL18180584 0.86 HTT (0.33) TRPM8SMYD3ALDH1A1L3MBTL1
SCHEMBL15889422 0.85 — —
SCHEMBL14950801 0.85 L3MBTL1 (0.33) TRPM8SMYD3ALDH1A1L3MBTL1
SCHEMBL18467490 0.85 L3MBTL1 (0.33) TRPM8SMYD3ALDH1A1L3MBTL1
SCHEMBL14950802 0.85 L3MBTL1 (0.33) TRPM8SMYD3ALDH1A1L3MBTL1
SCHEMBL18467489 0.85 L3MBTL1 (0.33) TRPM8SMYD3ALDH1A1L3MBTL1
SCHEMBL18467491 0.85 L3MBTL1 (0.33) TRPM8SMYD3ALDH1A1L3MBTL1
SCHEMBL10210054 0.83 TRPM8 (0.35) TRPM8SMYD3L3MBTL1
SCHEMBL10210058 0.83 — —

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-20110281910-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-17 — — 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-20110281910-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS TRPM8 4469/4885SMYD3 3771/4885ALDH1A1 2265/4885

“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.

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