SCHEMBL1786829

SCHEMBL1786829

CC(=O)C1CCC(C)(C)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.46
EPHX2 P34913 1/20 0.34
GRM2 Q14416 2/20 0.33
GRM3 Q14832 2/20 0.33
GRM4 Q14833 2/20 0.33
CYP1A2 P05177 2/20 0.33
ALOX15 P16050 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GRM8 O00222 1/20 0.33
GRM6 O15303 1/20 0.33
LMNA P02545 1/20 0.33
GRM5 P41594 1/20 0.33
MTOR P42345 1/20 0.33
GRM1 Q13255 1/20 0.33
PLCB1 Q9NQ66 1/20 0.33
TSHR P16473 1/20 0.33
ATP1A1 P05023 2/20 0.33
ATP1B1 P05026 2/20 0.33
ATP1A3 P13637 2/20 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
SCHEMBL25971336 1.00 APLNR (0.46) APLNREPHX2GRM2GRM3GRM4
SCHEMBL17414390 1.00 APLNR (0.46) APLNREPHX2GRM2GRM3GRM4
SCHEMBL715584 0.86 APLNR (0.43) APLNRCYP1A2GABRPGABRDGABRA1
SCHEMBL23457777 0.86 APLNR (0.43) APLNRCYP1A2GABRPGABRDGABRA1
SCHEMBL30879578 0.86 APLNR (0.43) APLNRCYP1A2GABRPGABRDGABRA1
SCHEMBL1840371 0.85 EPHX2 (0.40) APLNREPHX2GRM2GRM3GRM4
SCHEMBL18569711 0.85 APLNR (0.56) APLNRCYP2C19LMNAMTORGABRP
SCHEMBL27900264 0.83 APLNR (0.48) APLNREPHX2GRM2GRM3GRM4
SCHEMBL8318891 0.81 APLNR (0.65) APLNRGRM2GRM3GRM4CYP1A2
SCHEMBL17212627 0.81 APLNR (0.65) APLNRGRM2GRM3GRM4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8632792-B2 Cooling sensation agent composition and sensory stimulation agent composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-01-21 US disclosed
US-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-05-19 US disclosed
WO-2009123355-A2 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-08 WO disclosed
EP-0472966-B1 Esters and their use in perfumery FIRMENICH & CIE (CH) 1994-09-28 EP disclosed
US-5166412-A ESTERS AND THEIR USE IN PERFUMERY FIRMENICH S.A. (CH) 1992-11-24 US disclosed
EP-0472966-A1 Esters and their use in perfumery FIRMENICH SA (CH) 1992-03-04 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 (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-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TRPA1, HRH1, HRH2 APLNR 3457/4885EPHX2 768/4885GRM2 1031/4885

“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.