SCHEMBL29185841

SCHEMBL29185841

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

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.30
▸ PTPN2 P17706 1/20 0.30
▸ PTPN1 P18031 1/20 0.30
▸ CDC25B P30305 1/20 0.30
▸ ALDH1A1 P00352 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
SCHEMBL29185815 1.00 MEN1 (0.38) MEN1KMT2ACYP3A4ALOX15KDM4E
SCHEMBL29185855 0.82 CYP3A4 (0.44) MEN1KMT2ACYP3A4ALOX15ALDH1A1
SCHEMBL29185823 0.74 ACE2 (0.33) —
SCHEMBL10696498 0.74 MEN1 (0.40) MEN1KMT2ACYP3A4ALOX15KDM4E
SCHEMBL29185883 0.72 KCNH3 (0.36) —
SCHEMBL16357610 0.72 ALDH1A1 (0.50) MEN1KMT2ACYP3A4ALOX15KDM4E
SCHEMBL94185 0.72 MEN1 (0.39) MEN1KMT2ACYP3A4ALOX15KDM4E
SCHEMBL14867325 0.72 MEN1 (0.47) MEN1KMT2ACYP3A4ALOX15KDM4E
SCHEMBL464975 0.72 MEN1 (0.39) MEN1KMT2ACYP3A4ALOX15KDM4E
SCHEMBL14867327 0.72 MEN1 (0.47) MEN1KMT2ACYP3A4ALOX15KDM4E

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 MEN1 4388/4885KMT2A 2060/4885CYP3A4 133/4885

“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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