SCHEMBL15080396

SCHEMBL15080396

CC(=O)CC1CC1C(C)C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.37
TRPM8 Q7Z2W7 3/20 0.34
TRPA1 O75762 2/20 0.34
SLC1A2 P43004 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
ALOX15 P16050 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 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
SCHEMBL28350744 0.82 EPHX1 (0.51) EPHX1TRPM8TRPA1ALDH1A1
SCHEMBL12972998 0.82 SLC6A12 (0.48) EPHX1TRPM8TRPA1SLC1A2MEN1
SCHEMBL11212023 0.81 ALDH1A1 (0.30) ALDH1A1TDP1
SCHEMBL3264640 0.79 TRPM8 (0.43) EPHX1TRPM8TRPA1
SCHEMBL3264638 0.79 TRPM8 (0.43) EPHX1TRPM8TRPA1
SCHEMBL12658594 0.78 TRPM8 (0.36) EPHX1TRPM8TRPA1SLC1A2MEN1
SCHEMBL14392077 0.77 EPHX1 (0.36) EPHX1TRPM8TRPA1SLC1A2MEN1
SCHEMBL10121240 0.72 EPHX2 (0.41) EPHX1ALDH1A1
SCHEMBL11960304 0.70
SCHEMBL12633783 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140315790-A1 AMINOTHIAZOLES AND THEIR USES BUSHELL SIMON (US) 2014-10-23 US disclosed
US-20130252883-A1 Macrocycles and Their Uses NOVARTIS AG (CH) 2013-09-26 US disclosed
US-8476224-B2 Macrocycles and their uses NOVARTIS AG (US) 2013-07-02 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 (2 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-20130252883-A1 Macrocycles and Their Uses MRPL21, CLPP, MLEC EPHX1 4026/4885TRPM8 3429/4885TRPA1 3597/4885
US-20140315790-A1 AMINOTHIAZOLES AND THEIR USES ABAT, AADAT, GOT2 EPHX1 2553/4885TRPM8 1383/4885TRPA1 861/4885

“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.