SCHEMBL21596594

SCHEMBL21596594

COc1ccc(/C=C/OC2CCCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.50
NFE2L2 Q16236 1/20 0.49
KDM4E B2RXH2 3/20 0.47
CYP3A4 P08684 2/20 0.47
LMNA P02545 2/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TRPA1 O75762 1/20 0.46
RELA Q04206 1/20 0.46
HTT P42858 1/20 0.45
CYP1A2 P05177 3/20 0.44
CYP1A1 P04798 3/20 0.44
CYP1B1 Q16678 3/20 0.44
ESR1 P03372 2/20 0.44
PTGS2 P35354 2/20 0.44
ABL1 P00519 1/20 0.44
TTR P02766 1/20 0.44
ABCB1 P08183 1/20 0.44
ALOX5 P09917 1/20 0.44

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
SCHEMBL23244052 1.00 TRPM8 (0.50) TRPM8NFE2L2KDM4ECYP3A4LMNA
SCHEMBL17968578 0.83 TRPM8 (0.45) TRPM8NFE2L2KDM4EALDH1A1RELA
SCHEMBL7536052 0.83 RELA (0.50) LMNATP53ALDH1A1RELAESR1
SCHEMBL7428261 0.81 RAB9A (0.44) TRPM8NFE2L2KDM4ECYP3A4LMNA
SCHEMBL17968585 0.81 NFE2L2 (0.44) TRPM8NFE2L2KDM4EALDH1A1RELA
SCHEMBL1397152 0.79 HSP90AA1 (0.42) TRPM8KDM4ESMN1; SMN2
SCHEMBL23244045 0.79 HSP90AA1 (0.42) TRPM8KDM4ESMN1; SMN2
SCHEMBL5932030 0.79 TUBB1 (0.40) KDM4ELMNAALDH1A1HTTPTGS2
SCHEMBL8038917 0.77 NPC1 (0.43) TRPM8NFE2L2KDM4ECYP3A4LMNA
SCHEMBL5932139 0.77 TUBB1 (0.41) KDM4ELMNAALDH1A1HTTPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257678-A1 ENOL ETHER PROPERFUME FIRMENICH SA (CH) 2023-08-17 US claimed
EP-3746420-B1 ENOL ETHER PROPERFUME FIRMENICH & CIE (CH) 2023-08-16 EP claimed
US-20210115354-A1 ENOL ETHER PROPERFUME FIRMENICH SA (CH) 2021-04-22 US claimed
EP-3746420-A1 ENOL ETHER PROPERFUME Firmenich SA (CH) 2020-12-09 EP claimed
WO-2019243501-A1 ENOL ETHER PROPERFUME FIRMENICH SA (CH) 2019-12-26 WO claimed
EP-3746420-B1 ENOL ETHER PROPERFUME FIRMENICH & CIE (CH) 2023-08-16 EP disclosed
US-11667869-B2 Enol ether pro perfume FIRMENICH SA (CH) 2023-06-06 US disclosed
US-20210115354-A1 ENOL ETHER PROPERFUME FIRMENICH SA (CH) 2021-04-22 US disclosed
EP-3746420-A1 ENOL ETHER PROPERFUME Firmenich SA (CH) 2020-12-09 EP disclosed
WO-2019243501-A1 ENOL ETHER PROPERFUME FIRMENICH SA (CH) 2019-12-26 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 (3 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-11667869-B2 Enol ether pro perfume CYP2E1, ACADM, PEF1 TRPM8 995/4885NFE2L2 490/4885KDM4E 2222/4885
US-20230257678-A1 ENOL ETHER PROPERFUME CYP2E1, ADH5, ECI1 TRPM8 1572/4885NFE2L2 345/4885KDM4E 1244/4885
US-20210115354-A1 ENOL ETHER PROPERFUME CYP2E1, ACADM, ALDH5A1 TRPM8 2190/4885NFE2L2 461/4885KDM4E 1499/4885

“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.