SCHEMBL29185855

SCHEMBL29185855

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

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ MEN1 O00255 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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 0.82 MEN1 (0.38) CYP3A4ALDH1A1MEN1ALOX15KMT2A
SCHEMBL29185841 0.82 MEN1 (0.38) CYP3A4ALDH1A1MEN1ALOX15KMT2A
SCHEMBL20819487 0.75 CYP3A4 (0.52) CYP3A4ALDH1A1LMNATDP1MEN1
SCHEMBL113867 0.75 CYP3A4 (0.52) CYP3A4ALDH1A1LMNATDP1MEN1
SCHEMBL29446627 0.73 CYP3A4 (0.55) CYP3A4ALDH1A1LMNATDP1MEN1
SCHEMBL10834300 0.72 LMNA (0.52) CYP3A4ALDH1A1LMNATDP1MEN1
SCHEMBL8306636 0.71 CYP3A4 (0.40) CYP3A4ALDH1A1LMNATDP1MEN1
SCHEMBL5322857 0.70 ALDH1A1 (0.43) CYP3A4ALDH1A1LMNATDP1MEN1
SCHEMBL19812427 0.70 ALDH1A1 (0.43) CYP3A4ALDH1A1LMNATDP1MEN1
SCHEMBL11843905 0.70 ALDH1A1 (0.51) CYP3A4ALDH1A1LMNATDP1

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 5 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
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
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 CYP3A4 133/4885ALDH1A1 27/4885LMNA 1358/4885

“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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