SCHEMBL17822152

SCHEMBL17822152

CCC(C)(O)CCC/C(C)=C/CCC=O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SQLE Q14534 5/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 4/20 0.35
KMT2A Q03164 1/20 0.34
KDM1A O60341 1/20 0.30
FNTA P49354 1/20 0.30
FNTB P49356 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
SCHEMBL17822153 1.00 SQLE (0.36) SQLEHPGDALOX15KMT2AKDM1A
SCHEMBL16296254 0.84 SQLE (0.39) SQLEHPGDALOX15KMT2AKDM1A
SCHEMBL21986504 0.84 SQLE (0.39) SQLEHPGDALOX15KMT2AKDM1A
SCHEMBL16294982 0.84 SQLE (0.39) SQLEHPGDALOX15KMT2AKDM1A
SCHEMBL19734639 0.76 TSHR (0.48) SQLEHPGDKMT2A
SCHEMBL18436365 0.76 CYP1A1 (0.40) SQLEHPGDALOX15KMT2AKDM1A
SCHEMBL17822144 0.74 TSHR (0.48)
SCHEMBL28116876 0.74 ALOX15 (0.36) SQLEALOX15
SCHEMBL14030630 0.73 ALOX15 (0.45) SQLEALOX15KMT2AKDM1A
SCHEMBL16464964 0.73 ALOX15 (0.43) SQLEALOX15KMT2AFNTAFNTB

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 10 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
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-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
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
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
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 SQLE 870/4885HPGD 250/4885ALOX15 49/4885
US-20170327769-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS AND THEIR USE AS FRAGRANCE INGREDIENTS C5, C9, DHCR24 SQLE 526/4885HPGD 175/4885ALOX15 50/4885

“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.