SCHEMBL4424349

SCHEMBL4424349

CCOC(=O)C1CC2CCC1C2C(C)C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CAPN9 O14815 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
PPM1B O75688 1/20 0.33
PTPN1 P18031 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
PPP1CC P36873 1/20 0.33
CA12 O43570 4/20 0.33
CA1 P00915 4/20 0.33
CA2 P00918 4/20 0.33
CA9 Q16790 3/20 0.33

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
SCHEMBL13359047 0.83 CAPN9 (0.39) CAPN9TRPM8ALDH1A1MAPTPPM1B
SCHEMBL25472089 0.82 PPM1B (0.36) CAPN9ALDH1A1MAPTMEN1KMT2A
SCHEMBL30242828 0.82 PPM1B (0.36) CAPN9ALDH1A1MAPTMEN1KMT2A
SCHEMBL30242933 0.80 PPM1B (0.37) CAPN9ALDH1A1MAPTMEN1KMT2A
SCHEMBL24198158 0.80 PPM1B (0.37) CAPN9ALDH1A1MAPTMEN1KMT2A
SCHEMBL16306571 0.78 PPM1B (0.40) ALDH1A1MAPTMEN1KMT2APPM1B
SCHEMBL10595744 0.78 PPM1B (0.41) TRPM8ALDH1A1MAPTMEN1CYP1A2
SCHEMBL7266782 0.77 ALDH1A1 (0.42) CAPN9ALDH1A1MAPTMEN1KMT2A
SCHEMBL879033 0.75 CAPN9 (0.34) CAPN9
SCHEMBL24198371 0.73 PPM1B (0.37) ALDH1A1MAPTMEN1CYP3A4CYP2D6

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
EP-1451278-B1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2009-02-11 EP disclosed
US-7060664-B2 Organic compounds GIVAUDAN SA (CH) 2006-06-13 US disclosed
US-20050119157-A1 Organic compounds GIVAUDAN SA (CH) 2005-06-02 US disclosed
EP-1318190-A1 Organic compounds Givaudan SA (CH) 2003-06-11 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 (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-20050119157-A1 Organic compounds OR10J3, OR51E2, TRPA1 CAPN9 3902/4885TRPM8 45/4885ALDH1A1 538/4885

“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.