SCHEMBL30128595

SCHEMBL30128595

CCCCCCCCCC(C)C=[N+]([O-])CC(C)CCC

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADH1B P00325 1/20 0.33
▸ ADH1C P00326 1/20 0.33
▸ ADH1A P07327 1/20 0.33
▸ ADH4 P08319 1/20 0.33
▸ ADH7 P40394 1/20 0.33
▸ ACE2 Q9BYF1 1/20 0.33
▸ OPRM1 P35372 1/20 0.32
▸ CA1 P00915 2/20 0.32
▸ SPHK1 Q9NYA1 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CA2 P00918 1/20 0.30

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
SCHEMBL29185842 1.00 ADH1B (0.33) ADH1BADH1CADH1AADH4ADH7
SCHEMBL29185860 0.95 ACE2 (0.37) ADH1BADH1CADH1AADH4ADH7
SCHEMBL29185885 0.95 ACE2 (0.37) ADH1BADH1CADH1AADH4ADH7
SCHEMBL29185907 0.82 ADH1B (0.37) ADH1BADH1CADH1AADH4ADH7
SCHEMBL30128858 0.82 ADH1B (0.37) ADH1BADH1CADH1AADH4ADH7
SCHEMBL29185887 0.80 ALDH1A1 (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL30128820 0.76 ADH1B (0.38) ADH1BADH1CADH1AADH4ADH7
SCHEMBL29185891 0.76 ADH1B (0.38) ADH1BADH1CADH1AADH4ADH7
SCHEMBL29185862 0.74 ADH1B (0.37) ADH1BADH1CADH1AADH4ADH7
SCHEMBL29185772 0.74 ADH1B (0.37) ADH1BADH1CADH1AADH4ADH7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240294470-A1 FRAGRANCE COMPOUNDS GIVAUDAN SA (CH) 2024-09-05 — — US disclosed
EP-4355728-A1 FRAGRANCE COMPOUNDS Givaudan SA (CH) 2024-04-24 — — EP disclosed
WO-2022261956-A1 FRAGRANCE COMPOUNDS GIVAUDAN SA (CH) 2022-12-22 — — WO disclosed
WO-2022263605-A1 FRAGRANCE COMPOUNDS GIVAUDAN SA (CH) 2022-12-22 — — 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-20240294470-A1 FRAGRANCE COMPOUNDS FASN, FAAH2, FADS2 ADH1B 74/4885ADH1C 202/4885ADH1A 73/4885

“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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