SCHEMBL21889561

SCHEMBL21889561

C=C(C)C1CCC(C)=CC1CC=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.45
OPRM1 P35372 7/20 0.45
CNR1 P21554 11/20 0.44
GPR55 Q9Y2T6 3/20 0.43
TRPV1 Q8NER1 3/20 0.43
CYP1A1 P04798 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2B6 P20813 2/20 0.43
SLC6A2 P23975 2/20 0.43
CYP2C19 P33261 2/20 0.43
SLC6A3 Q01959 2/20 0.43
TRPM8 Q7Z2W7 2/20 0.43
TRPA1 O75762 1/20 0.43
GPR6 P46095 1/20 0.43
NAAA Q02083 1/20 0.43
TRPV3 Q8NET8 1/20 0.43
TRPV4 Q9HBA0 1/20 0.43
DAGLA Q9Y4D2 1/20 0.43
TRPV2 Q9Y5S1 1/20 0.43
MEN1 O00255 1/20 0.42

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
SCHEMBL31125988 0.83 CNR2 (0.46) CNR2OPRM1CNR1GPR55TRPV1
SCHEMBL28120736 0.73 CNR1 (0.51) CNR2OPRM1CNR1GPR55TRPV1
SCHEMBL21889564 0.71 ACE2 (0.36) OPRM1
SCHEMBL21889565 0.71 ACE2 (0.36) OPRM1
SCHEMBL21834436 0.71 ACE2 (0.36) OPRM1
SCHEMBL24805453 0.71 CNR2 (0.37) CNR2OPRM1CNR1GPR55TRPV1
SCHEMBL24614951 0.71 CNR2 (0.37) CNR2OPRM1CNR1GPR55TRPV1
SCHEMBL23847917 0.71 CNR1 (0.53) CNR2OPRM1CNR1GPR55TRPV1
SCHEMBL4299443 0.71 CNR1 (0.53) CNR2OPRM1CNR1GPR55TRPV1
SCHEMBL21759190 0.71 CNR1 (0.53) CNR2OPRM1CNR1GPR55TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3853199-B1 2-(5-ISOPROPYL-2-METHYL-CYCLOHEX-2-EN-1-YL-) ACETALDEHYDE AND 2-(6-ISOPROPYL-3-METHYL-CYCLOHEX-2-EN-1-YL-) ACETALDEHYDE AS NEW ODORANTS SYMRISE AG (DE) 2023-10-25 EP disclosed
US-20220033338-A1 2-(5-ISOPROPYL-2-METHYL-CYCLOHEX-2-EN- 1-YL-)ACETALDEHYDE AND 2-(6-ISOPROPYL- 3-METHYL-CYCLOHEX-2-EN-1-YL-) ACETALDEHYDE AS NEW ODORANTS SYMRISE AG (DE) 2022-02-03 US disclosed
WO-2020057741-A1 2-(5-ISOPROPYL-2-METHYL-CYCLOHEX-2-EN-1-YL-) ACETALDEHYDE AND 2-(6-ISOPROPYL-3-METHYL-CYCLOHEX-2-EN-1-YL-) ACETALDEHYDE AS NEW ODORANTS SYMRISE AG (DE) 2020-03-26 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 (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-20220033338-A1 2-(5-ISOPROPYL-2-METHYL-CYCLOHEX-2-EN- 1-YL-)ACETALDEHYDE AND 2-(6-ISOPROPYL- 3-METHYL-CYCLOHEX-2-EN-1-YL-) ACETALDEHYDE AS NEW ODORANTS ADH5, PIR, ACLY CNR2 757/4885OPRM1 516/4885CNR1 1227/4885

“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.