SCHEMBL17822154

SCHEMBL17822154

CC(CCC=O)CC(C)CCC(C)(C)O

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30
KMT2A Q03164 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
SCHEMBL28476303 0.82 ALOX15 (0.42) ALDH1A1MEN1CYP3A4ALOX15KMT2A
SCHEMBL17822155 0.79 MEN1 (0.40) ALDH1A1MEN1CYP3A4ALOX15KMT2A
SCHEMBL7703195 0.74 MEN1 (0.42) ALDH1A1MEN1CYP3A4ALOX15KMT2A
SCHEMBL3890589 0.74 MEN1 (0.42) ALDH1A1MEN1CYP3A4ALOX15KMT2A
SCHEMBL1784052 0.74 HIF1A (0.40) ALDH1A1ALOX15
SCHEMBL1786594 0.73 ALDH1A1 (0.38) ALDH1A1
SCHEMBL1783631 0.73 ALDH1A1 (0.43) ALDH1A1
SCHEMBL11763330 0.72 ALOX15 (0.39) ALDH1A1MEN1CYP3A4ALOX15KMT2A
SCHEMBL905182 0.71
SCHEMBL17381336 0.71 ALDH1A1 (0.42) ALDH1A1ALOX15

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
EP-3230245-B1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS AND THEIR USE AS FLAGRANCE INGREDIENTS GIVAUDAN SA (CH) 2020-06-10 EP disclosed
US-10450532-B2 Organic compounds and their use as fragrance ingredients GIVAUDAN S.A. (CH) 2019-10-22 US disclosed
US-20170327769-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS AND THEIR USE AS FRAGRANCE INGREDIENTS GIVAUDAN S.A. (CH) 2017-11-16 US disclosed
EP-3230245-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS AND THEIR USE AS FLAGRANCE INGREDIENTS Givaudan SA (CH) 2017-10-18 EP disclosed
WO-2016091895-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS AND THEIR USE AS FLAGRANCE INGREDIENTS GIVAUDAN SA (CH) 2016-06-16 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 (2 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-10450532-B2 Organic compounds and their use as fragrance ingredients C9, C5, HRH1 ALDH1A1 648/4885MEN1 1500/4885CYP3A4 567/4885
US-20170327769-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS AND THEIR USE AS FRAGRANCE INGREDIENTS C5, C9, DHCR24 ALDH1A1 693/4885MEN1 965/4885CYP3A4 811/4885

“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.