SCHEMBL17822155

SCHEMBL17822155

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 2/20 0.34
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HIF1A Q16665 1/20 0.32
FAAH O00519 2/20 0.31
TRPV1 Q8NER1 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
CDC25B P30305 1/20 0.31
ACE2 Q9BYF1 1/20 0.31

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
SCHEMBL7703195 0.89 MEN1 (0.42) MEN1KMT2ACYP3A4ALOX15TSHR
SCHEMBL3890589 0.89 MEN1 (0.42) MEN1KMT2ACYP3A4ALOX15TSHR
SCHEMBL28476303 0.85 ALOX15 (0.42) MEN1KMT2ACYP3A4ALOX15TSHR
SCHEMBL10081315 0.82 TSHR (0.48) ALOX15TSHRLMNAALDH1A1HIF1A
SCHEMBL15149582 0.80 TSHR (0.52) CYP3A4TSHRLMNAALDH1A1HIF1A
SCHEMBL17822154 0.79 ALDH1A1 (0.33) MEN1KMT2ACYP3A4ALOX15ALDH1A1
Pentanal SCHEMBL20856850 0.76 TSHR (0.45) MEN1KMT2ACYP3A4ALOX15TSHR
SCHEMBL9391580 0.76 TSHR (0.48) TSHRALDH1A1HIF1AFAAHTRPV1
SCHEMBL12204769 0.76 TSHR (0.48) TSHRALDH1A1HIF1AFAAHTRPV1
SCHEMBL17500181 0.76 TSHR (0.48) TSHRALDH1A1HIF1AFAAHTRPV1

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 MEN1 1500/4885KMT2A 2128/4885CYP3A4 567/4885
US-20170327769-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS AND THEIR USE AS FRAGRANCE INGREDIENTS C5, C9, DHCR24 MEN1 965/4885KMT2A 2438/4885CYP3A4 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.