SCHEMBL20777283

SCHEMBL20777283

CCOc1ccc(/C=C/C(=O)N(c2cc[nH]n2)C2CCSC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 4/20 0.45
▸ ALDH1A1 P00352 4/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ POLB P06746 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAOB P27338 5/20 0.39
▸ MAOA P21397 1/20 0.39
▸ ABCG2 Q9UNQ0 1/20 0.38

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
SCHEMBL20777359 0.89 TRPM8 (0.54) TRPM8ALDH1A1KDM4EMAPTLMNA
SCHEMBL30579621 0.89 TRPM8 (0.54) TRPM8ALDH1A1KDM4EMAPTLMNA
SCHEMBL20777361 0.87 TRPM8 (0.51) TRPM8ALDH1A1NPC1RAB9AKDM4E
SCHEMBL30579627 0.87 TRPM8 (0.51) TRPM8ALDH1A1NPC1RAB9AKDM4E
SCHEMBL22074351 0.87 TRPM8 (0.61) TRPM8ALDH1A1NPC1RAB9AKDM4E
SCHEMBL20777379 0.86 TRPM8 (0.49) TRPM8ALDH1A1NPC1RAB9AKDM4E
SCHEMBL20777281 0.85 TRPM8 (0.45) TRPM8ALDH1A1NPC1RAB9AKDM4E
SCHEMBL22074475 0.84 TRPM8 (0.57) TRPM8ALDH1A1NPC1RAB9AKDM4E
SCHEMBL22074403 0.82 ALDH1A1 (0.57) TRPM8ALDH1A1NPC1RAB9AKDM4E
SCHEMBL20777285 0.80 NPC1 (0.40) TRPM8ALDH1A1NPC1RAB9AKDM4E

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
EP-3675809-B1 USE OF PHYSIOLOGICAL COOLING INGREDIENTS AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS BASF SE (DE) 2023-09-27 — — EP disclosed
US-11434220-B2 Use of physiological cooling active ingredients, and compositions comprising such active ingredients BASF SE (DE) 2022-09-06 — — US disclosed
EP-3675809-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND COMPOSITIONS COMPRISING SUCH ACTIVE INGREDIENTS BASF SE (DE) 2020-07-08 — — EP disclosed
US-20200190052-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND COMPOSITIONS COMPRISING SUCH ACTIVE INGREDIENTS BASF SE (DE) 2020-06-18 — — US disclosed
US-20200190052-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND COMPOSITIONS COMPRISING SUCH ACTIVE INGREDIENTS BASF SE (DE) 2020-06-18 — — US disclosed
WO-2019043164-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND COMPOSITIONS COMPRISING SUCH ACTIVE INGREDIENTS BASF SE (DE) 2019-03-07 — — WO 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-11434220-B2 Use of physiological cooling active ingredients, and compositions comprising such active ingredients TRPM8, TRPM7, TRPM5 TRPM8 1/4885ALDH1A1 1810/4885NPC1 708/4885
US-20200190052-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND COMPOSITIONS COMPRISING SUCH ACTIVE INGREDIENTS TRPM8, TRPM7, TRPM5 TRPM8 1/4885ALDH1A1 1810/4885NPC1 708/4885

“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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