SCHEMBL21889565

SCHEMBL21889565

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nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 2/20 0.36
OPRM1 P35372 1/20 0.36
PTPN1 P18031 1/20 0.33

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
SCHEMBL21889564 1.00 ACE2 (0.36) ACE2OPRM1PTPN1
SCHEMBL21834436 1.00 ACE2 (0.36) ACE2OPRM1PTPN1
SCHEMBL14279103 0.84 ACE2 (0.35) ACE2OPRM1PTPN1
SCHEMBL7777433 0.79 ACE2 (0.39) ACE2OPRM1PTPN1
SCHEMBL11303614 0.77 OPRM1 (0.42) ACE2OPRM1PTPN1
SCHEMBL9951165 0.76 ACE2 (0.37) ACE2OPRM1PTPN1
SCHEMBL6400426 0.74 ACE2 (0.36) ACE2OPRM1PTPN1
SCHEMBL21889561 0.71 CNR2 (0.45) OPRM1
SCHEMBL18878241 0.69 OPRM1 (0.39) ACE2OPRM1PTPN1
Methyl Piperitol SCHEMBL3032662 0.68 OPRM1 (0.37) ACE2OPRM1PTPN1

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 ACE2 4432/4885OPRM1 516/4885PTPN1 4383/4885

“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.