SCHEMBL16611500

SCHEMBL16611500

CCCCCCCC/C=C\CCCCCCCC(=O)OC(C)[N+](C)(C)CCO.COS(=O)(=O)[O-]

nearest known ligand 0.48

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 1/20 0.48
PRKCA P17252 2/20 0.46
PRKCE Q02156 1/20 0.46
PRKCQ Q04759 1/20 0.46
PRKCD Q05655 1/20 0.46
CNR2 P34972 2/20 0.44
FAAH O00519 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
CNR1 P21554 1/20 0.44
DAGLA Q9Y4D2 1/20 0.43
DGKA P23743 1/20 0.43
S1PR1 P21453 1/20 0.41
LMNA P02545 2/20 0.41
LPAR1 Q92633 1/20 0.40

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
SCHEMBL18204276 0.93 LMNA (0.47) SLC6A5PRKCAPRKCEPRKCQPRKCD
SCHEMBL6740155 0.91 SLC6A5 (0.51) SLC6A5PRKCAPRKCEPRKCQPRKCD
SCHEMBL3371269 0.88 SLC6A5 (0.53) SLC6A5PRKCAPRKCEPRKCQPRKCD
SCHEMBL5824303 0.84 SLC6A5 (0.50) SLC6A5PRKCAPRKCEPRKCQPRKCD
SCHEMBL1800357 0.84 MAPT (0.48) SLC6A5PRKCAPRKCEPRKCQPRKCD
SCHEMBL29449493 0.81 SLC6A5 (0.54) SLC6A5PRKCAPRKCEPRKCQPRKCD
SCHEMBL14809228 0.81 SLC6A5 (0.51) SLC6A5PRKCAPRKCEPRKCQPRKCD
SCHEMBL26134552 0.81 SLC6A5 (0.51) SLC6A5PRKCAPRKCEPRKCQPRKCD
SCHEMBL22319402 0.81 SLC6A5 (0.54) SLC6A5PRKCAPRKCEPRKCQPRKCD
SCHEMBL7632420 0.80 SLC6A5 (0.53) SLC6A5PRKCAPRKCEPRKCQPRKCD

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-3279300-B1 FRAGRANCE COMPOSITION KAO CORP (JP) 2019-03-27 EP disclosed
EP-3279300-A1 FRAGRANCE COMPOSITION KAO CORPORATION (JP) 2018-02-07 EP disclosed
EP-2857482-B1 PERFUME COMPOSITION KAO CORP (JP) 2017-10-11 EP disclosed
US-9567550-B2 Fragrance composition KAO CORPORATION (JP) 2017-02-14 US disclosed
US-20160376521-A1 PERFUME COMPOSITION KAO CORPORATION (JP) 2016-12-29 US disclosed
US-20160326457-A1 ESTER KAO CORPORATION (JP) 2016-11-10 US disclosed
EP-3075822-A1 PERFUME COMPOSITION Kao Corporation (JP) 2016-10-05 EP disclosed
EP-3072877-A1 ESTER Kao Corporation (JP) 2016-09-28 EP disclosed
US-20150118174-A1 FRAGRANCE COMPOSITION KAO CORPORATION (JP) 2015-04-30 US disclosed
EP-2857482-A1 PERFUME COMPOSITION Kao Corporation (JP) 2015-04-08 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 (3 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-20150118174-A1 FRAGRANCE COMPOSITION FAAH2, FAAH, DACH1 SLC6A5 3896/4885PRKCA 4084/4885PRKCE 3414/4885
US-20160376521-A1 PERFUME COMPOSITION DEGS1, ALG3, DHCR24 SLC6A5 4110/4885PRKCA 2622/4885PRKCE 1488/4885
US-20160326457-A1 ESTER MEP1A, ELOVL1, EBP SLC6A5 4398/4885PRKCA 1635/4885PRKCE 487/4885

“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.