SCHEMBL29185885

SCHEMBL29185885

CCCCCCCCCC(C)/C=[N+](\[O-])CC(C)CCCCCCCCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE2 Q9BYF1 1/20 0.37
▸ ADH1B P00325 1/20 0.34
▸ ADH1C P00326 1/20 0.34
▸ ADH1A P07327 1/20 0.34
▸ ADH4 P08319 1/20 0.34
▸ ADH7 P40394 1/20 0.34
▸ OPRM1 P35372 1/20 0.33
▸ 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 0.31
▸ PRKD3 O94806 1/20 0.30
▸ PRKCG P05129 1/20 0.30
▸ PRKCB P05771 1/20 0.30
▸ PRKCA P17252 1/20 0.30
▸ PRKCH P24723 1/20 0.30
▸ PRKCI P41743 1/20 0.30
▸ PRKCE Q02156 1/20 0.30
▸ PRKCQ Q04759 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
SCHEMBL29185860 1.00 ACE2 (0.37) ACE2ADH1BADH1CADH1AADH4
SCHEMBL29185842 0.95 ADH1B (0.33) ACE2ADH1BADH1CADH1AADH4
SCHEMBL30128595 0.95 ADH1B (0.33) ACE2ADH1BADH1CADH1AADH4
SCHEMBL29185907 0.83 ADH1B (0.37) ACE2ADH1BADH1CADH1AADH4
SCHEMBL30128858 0.83 ADH1B (0.37) ACE2ADH1BADH1CADH1AADH4
SCHEMBL29185887 0.81 ALDH1A1 (0.42) ACE2ADH1BADH1CADH1AADH4
SCHEMBL29185872 0.80 ACE2 (0.38) ACE2ADH1BADH1CADH1AADH4
SCHEMBL30128820 0.77 ADH1B (0.38) ACE2ADH1BADH1CADH1AADH4
SCHEMBL29185891 0.77 ADH1B (0.38) ACE2ADH1BADH1CADH1AADH4
SCHEMBL29185772 0.76 ADH1B (0.37) ACE2ADH1BADH1CADH1AADH4

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
US-20240294470-A1 FRAGRANCE COMPOUNDS GIVAUDAN SA (CH) 2024-09-05 — — US disclosed
CN-117500783-A Perfume compounds 奇华顿股份有限公司 2024-02-02 — — CN disclosed
WO-2022261956-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 ACE2 3419/4885ADH1B 74/4885ADH1C 202/4885

“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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