Rel-Menthone

Rel-Menthone

SCHEMBL5712928

CC(C)[C@H]1CC[C@H](C)CC1=O.CC1CCC(C(C)C)C(O)C1.OCC(O)CO

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

TRPA1TRPM8

The experimentally established mechanism targets of Rel-Menthone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 known ✓ Q7Z2W7 3/20 0.53
TRPA1 known ✓ O75762 2/20 0.53
EPHX1 P07099 3/20 0.35
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
XBP1 P17861 1/20 0.31
CYP2C19 P33261 1/20 0.31
CYP19A1 P11511 2/20 0.31
KDM4E B2RXH2 1/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
TRPV1 Q8NER1 1/20 0.30
KCNA5 P22460 1/20 0.30

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
Rel-Menthone SCHEMBL744217 0.91 TRPM8 (0.64) TRPM8TRPA1EPHX1ALDH1A1TRPV1
Menthone SCHEMBL80560 0.87 NPC1 (0.33) LMNAALDH1A1
Rel-Menthone SCHEMBL80559 0.87 NPC1 (0.33) LMNAALDH1A1
Menthone SCHEMBL1031003 0.87 NPC1 (0.33) LMNAALDH1A1
Menthol SCHEMBL1617429 0.84 TRPM8 (0.75) TRPM8TRPA1EPHX1LMNAGAA
Rel-Menthone SCHEMBL3636289 0.83 NPC1 (0.34)
Menthone SCHEMBL3636290 0.83 NPC1 (0.34)
Menthol SCHEMBL2634088 0.81 TRPM8 (0.66) TRPM8TRPA1EPHX1LMNAMAPT
Rel-Menthone SCHEMBL111746 0.80 LMNA (0.32) LMNACYP2D6
Menthone SCHEMBL3652908 0.80 LMNA (0.32) LMNACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117582375-A Antipruritic composition and preparation method and application thereof 深圳杉海创新技术有限公司 2024-02-23 CN claimed
CN-117582375-A Antipruritic composition and preparation method and application thereof 深圳杉海创新技术有限公司 2024-02-23 CN disclosed
CN-117582375-A Antipruritic composition and preparation method and application thereof 深圳杉海创新技术有限公司 2024-02-23 CN disclosed
EP-1682641-A1 FLAVOR INGREDIENTS FOR COOLING PREPARATIONS FIRMENICH SA (CH) 2006-07-26 EP disclosed
WO-2005042680-A1 FLAVOR INGREDIENTS FOR COOLING PREPARATIONS FIRMENICH SA (CH) 2005-05-12 WO disclosed