SCHEMBL17106367

SCHEMBL17106367

CC1=C(C)C[C@@H](C(=O)OC(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
ITGA5 P08648 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
SLC6A2 P23975 1/20 0.33
CHRNB4 P30926 1/20 0.33
SLC6A4 P31645 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CHRND Q07001 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 2/20 0.32
HPGD P15428 1/20 0.32
PDK1 Q15118 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
SCHEMBL17106361 1.00 CHRNA1 (0.33) CHRNA1CHRNGITGA5CHRNB1CHRNB2
SCHEMBL17106364 1.00 CHRNA1 (0.33) CHRNA1CHRNGITGA5CHRNB1CHRNB2
SCHEMBL5323907 0.80 THRB (0.40) CHRNA1CHRNGITGA5CHRNB1CHRNB2
SCHEMBL15768178 0.79 BRD4 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL17106164 0.79 BRD4 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL17106240 0.78 PDK1 (0.37) ALDH1A1MAPTPDK1TSHR
SCHEMBL17106233 0.76 HRH3 (0.39) ALDH1A1HPGDPDK1TSHR
SCHEMBL28101740 0.76 PDK1 (0.50) ALDH1A1MAPTPDK1TSHR
SCHEMBL31009629 0.76 PDK1 (0.50) ALDH1A1MAPTPDK1TSHR
SCHEMBL14074244 0.76 PDK1 (0.50) ALDH1A1MAPTPDK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3122847-A1 PERFUME SYSTEMS The Procter & Gamble Company (US) 2017-02-01 EP claimed
US-20160289593-A1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2016-10-06 US claimed
US-20150275132-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY 2015-10-01 US claimed
WO-2015148743-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2015-10-01 WO claimed
EP-3521409-B1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2024-08-14 EP disclosed
EP-3521409-A2 PERFUME SYSTEMS The Procter & Gamble Company (US) 2019-08-07 EP disclosed
EP-3122847-B1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2019-05-15 EP disclosed
US-20160289593-A1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2016-10-06 US disclosed
US-20150275132-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY 2015-10-01 US 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-20160289593-A1 PERFUME SYSTEMS TRPA1, PORCN, PLIN5 CHRNA1 2060/4885CHRNG 2276/4885ITGA5 2684/4885
US-20150275132-A1 PERFUME SYSTEMS TRPA1, PORCN, PLIN5 CHRNA1 2060/4885CHRNG 2276/4885ITGA5 2684/4885

“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.