SCHEMBL21402273

SCHEMBL21402273

COc1ccc(COCCC(C)C)cc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.58
ALOX12 P18054 3/20 0.58
TUBB1 Q9H4B7 7/20 0.51
TUBB4A P04350 6/20 0.51
TUBB P07437 6/20 0.51
TUBA3C P0DPH7 6/20 0.51
TUBA1B P68363 6/20 0.51
TUBA4A P68366 6/20 0.51
TUBB4B P68371 6/20 0.51
TUBB3 Q13509 6/20 0.51
TUBB2A Q13885 6/20 0.51
TUBB8 Q3ZCM7 6/20 0.51
TUBA3E Q6PEY2 6/20 0.51
TUBA1A Q71U36 6/20 0.51
TUBA1C Q9BQE3 6/20 0.51
TUBB6 Q9BUF5 6/20 0.51
TUBB2B Q9BVA1 6/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL580129 0.88 FOS (0.58) ALOX15ALOX12CYP1A2CYP3A4TSHR
SCHEMBL31512861 0.88 FOS (0.58) ALOX15ALOX12CYP1A2CYP3A4TSHR
Alcohol SCHEMBL580127 0.84 FOS (0.54) ALOX15ALOX12CYP1A2CYP3A4TSHR
SCHEMBL21402293 0.83 TUBB4A (0.55) ALOX15ALOX12TUBB1TUBB4ATUBB
SCHEMBL8293517 0.81 CYP3A4 (0.65) ALOX15ALOX12TUBB1TUBB4ATUBB
SCHEMBL21402298 0.80 TUBB4A (0.52) ALOX15ALOX12TUBB1TUBB4ATUBB
SCHEMBL15259646 0.79 CALM1 (0.50) TSHRGAA
SCHEMBL21402274 0.79 TUBB4A (0.58) ALOX15ALOX12TUBB1TUBB4ATUBB
SCHEMBL21402279 0.79 TUBB4A (0.51) ALOX15ALOX12TUBB1TUBB4ATUBB
SCHEMBL4387213 0.78 ALDH1A1 (0.42) ALOX15ALOX12TSHRKMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3569671-B1 METHYLMENTHOL DERIVATIVE AND COOL-SENSATION IMPARTER COMPOSITION CONTAINING SAME TAKASAGO PERFUMERY CO LTD (JP) 2022-06-22 EP claimed
US-11344488-B2 Cool-sensation imparter composition containing 2,2,6-trimethylcyclohexanecarboxylic acid derivative TAKASAGO INTERNATIONAL CORPORATION (JP) 2022-05-31 US claimed
CN-110168038-B Methyl menthol derivative and cold sensate composition containing same 高砂香料工业株式会社 2022-05-27 CN claimed
US-11236042-B2 Methylmenthol derivative and cool-sensation imparter composition containing same TAKASAGO INTERNATIONAL CORPORATION (JP) 2022-02-01 US claimed
EP-3275962-B1 METHYL MENTHOL DERIVATIVE AND COOLING AGENT COMPOSITION CONTAINING SAME TAKASAGO PERFUMERY CO LTD (JP) 2019-10-02 EP claimed
US-11344488-B2 Cool-sensation imparter composition containing 2,2,6-trimethylcyclohexanecarboxylic acid derivative TAKASAGO INTERNATIONAL CORPORATION (JP) 2022-05-31 US disclosed
CN-110168038-B Methyl menthol derivative and cold sensate composition containing same 高砂香料工业株式会社 2022-05-27 CN disclosed
US-11236042-B2 Methylmenthol derivative and cool-sensation imparter composition containing same TAKASAGO INTERNATIONAL CORPORATION (JP) 2022-02-01 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-11344488-B2 Cool-sensation imparter composition containing 2,2,6-trimethylcyclohexanecarboxylic acid derivative CNR2, ADRB2, TRPA1 ALOX15 632/4885ALOX12 330/4885TUBB1 755/4885
US-11236042-B2 Methylmenthol derivative and cool-sensation imparter composition containing same TRPM8, TRPM4, TRPM2 ALOX15 2667/4885ALOX12 2711/4885TUBB1 506/4885

“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.