SCHEMBL29185781

SCHEMBL29185781

CC(=CCCC=[N+]([O-])Cc1ccccc1)CCCC(C)(C)O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ LSS P48449 2/20 0.34
▸ CYP1A1 P04798 1/20 0.31
▸ CYP1B1 Q16678 1/20 0.31
▸ ELANE P08246 2/20 0.31
▸ TRPV1 Q8NER1 2/20 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
SCHEMBL29185771 0.78 KCNH3 (0.36) —
SCHEMBL30128886 0.76 SQLE (0.35) CYP1A1CYP1B1
SCHEMBL29185883 0.73 KCNH3 (0.36) —
SCHEMBL29185819 0.72 KDM1A (0.33) CYP1A1CYP1B1
SCHEMBL29094817 0.68 SMN1; SMN2 (0.36) —
SCHEMBL11818883 0.67 TP53 (0.38) —
SCHEMBL21986504 0.66 SQLE (0.39) CYP1A1CYP1B1ELANE
SCHEMBL18686407 0.66 KMT2A (0.63) —
SCHEMBL16296254 0.66 SQLE (0.39) CYP1A1CYP1B1ELANE
SCHEMBL17208654 0.66 ALOX15 (0.45) LSSCYP1A1CYP1B1

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 LSS 278/4885CYP1A1 56/4885CYP1B1 26/4885

“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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