SCHEMBL6236280

SCHEMBL6236280

CCCCCCCC1CCC(O)O1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.52
▸ PPARG P37231 2/20 0.46
▸ CYP1A2 P05177 2/20 0.44
▸ PTAFR P25105 1/20 0.40
▸ SPHK2 Q9NRA0 4/20 0.40
▸ SPHK1 Q9NYA1 4/20 0.40
▸ GBA1 P04062 3/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL24940224 1.00 EPHX1 (0.53) EPHX1ALDH1A1PPARGCYP1A2PTAFR
SCHEMBL18660923 1.00 EPHX1 (0.53) EPHX1ALDH1A1PPARGCYP1A2PTAFR
SCHEMBL19933291 1.00 EPHX1 (0.53) EPHX1ALDH1A1PPARGCYP1A2PTAFR
SCHEMBL20443960 1.00 EPHX1 (0.53) EPHX1ALDH1A1PPARGCYP1A2PTAFR
SCHEMBL10445292 1.00 EPHX1 (0.53) EPHX1ALDH1A1PPARGCYP1A2PTAFR
SCHEMBL6423756 0.98 EPHX1 (0.50) EPHX1ALDH1A1PPARGCYP1A2PTAFR
SCHEMBL23773071 0.92 EPHX1 (0.42) EPHX1ALDH1A1PPARGCYP1A2PTAFR
SCHEMBL19935766 0.89 EPHX1 (0.50) EPHX1ALDH1A1PPARGCYP1A2PTAFR
SCHEMBL21160596 0.89 EPHX1 (0.50) EPHX1ALDH1A1PPARGCYP1A2PTAFR
SCHEMBL20011814 0.89 EPHX1 (0.50) EPHX1ALDH1A1PPARGCYP1A2PTAFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4215064-A1 NOVEL FLAVOR, FLAVOR COMPOSITION, AND PRODUCT INCLUDING SAME KT & G Corporation (KR) 2023-07-26 — — EP disclosed
WO-2023090904-A1 SMOKING ARTICLE COMPRISING NOVEL FLAVORANT 주식회사 케이티앤지 2023-05-25 — — WO disclosed
US-6939845-B2 Fragrance precursors GIVAUDAN SA (CH) 2005-09-06 — — US disclosed
EP-1167362-B1 Fragance precursors GIVAUDAN SA (CH) 2005-05-25 — — EP disclosed
US-20020035055-A1 Fragrance precursors GIVAUDAN SA (CH) 2002-03-21 — — US disclosed
EP-1167362-A1 Fragance precursors Givaudan SA (CH) 2002-01-02 — — EP 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-20020035055-A1 Fragrance precursors FAAH2, FDPS, CYP51A1 EPHX1 448/4885ALDH1A1 26/4885PPARG 1670/4885

“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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