SCHEMBL8410558

SCHEMBL8410558

CCCCCCCCCCCCNCCC[N+](C)(C)[O-]

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.67
ALDH1A1 P00352 1/20 0.56
TSHR P16473 1/20 0.56
S1PR2 O95136 5/20 0.42
S1PR4 O95977 5/20 0.42
S1PR1 P21453 5/20 0.42
S1PR3 Q99500 5/20 0.42
S1PR5 Q9H228 1/20 0.42
EPHX1 P07099 2/20 0.41
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 0.41
ADH4 P08319 1/20 0.41
ADH7 P40394 1/20 0.41
DNM1 Q05193 7/20 0.41
HTT P42858 1/20 0.41
SLC22A1 O15245 1/20 0.39

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
SCHEMBL28939049 1.00 LSS (0.67) LSSALDH1A1TSHRS1PR2S1PR4
SCHEMBL28730764 1.00 LSS (0.67) LSSALDH1A1TSHRS1PR2S1PR4
SCHEMBL28730760 1.00 LSS (0.67) LSSALDH1A1TSHRS1PR2S1PR4
SCHEMBL8824277 1.00 LSS (0.67) LSSALDH1A1TSHRS1PR2S1PR4
SCHEMBL5988601 0.98 LSS (0.62) LSSALDH1A1TSHRS1PR2S1PR4
SCHEMBL27995236 0.91 LSS (0.60) LSSALDH1A1TSHRS1PR2S1PR4
SCHEMBL27174166 0.91 LSS (0.60) LSSALDH1A1TSHRS1PR2S1PR4
SCHEMBL27553835 0.89 LSS (0.53) LSSALDH1A1TSHR
SCHEMBL17941548 0.83 ALDH1A1 (0.52) LSSALDH1A1TSHRS1PR2S1PR4
SCHEMBL28489237 0.83 ALDH1A1 (0.52) LSSALDH1A1TSHRS1PR2S1PR4

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117916350-A Household care composition 高露洁-棕榄公司 2024-04-19 CN claimed
JP-11049741-A None JP disclosed
CN-116056718-B Sleep quality improver 艾饰庭株式会社 2024-09-10 CN disclosed
CN-117916350-A Household care composition 高露洁-棕榄公司 2024-04-19 CN disclosed
CN-117915883-A Oral care compositions and methods 高露洁-棕榄公司 2024-04-19 CN disclosed
US-20230201091-A1 Peroxymonosulfate Oral Whitening Compositions COLGATE-PALMOLIVE COMPANY (US) 2023-06-29 US disclosed
CN-116056718-A Sleep quality improver 艾饰庭株式会社 2023-05-02 CN disclosed
CN-115335567-A Fiber product treating agent composition and fiber product treating method 狮王株式会社 2022-11-11 CN disclosed
EP-2953992-B1 POLYMERS, PREPARATION AND USE THEREOF 3M INNOVATIVE PROPERTIES CO (US) 2021-11-24 EP disclosed
US-20210338541-A1 METHOD OF USING IN SITU COMPLEXATION OF SURFACTANTS FOR FOAM CONTROL AND CONDITIONING KENVUE BRANDS LLC 2021-11-04 US disclosed
US-20190055365-A1 COSMETIC COMPOSITION, COSMETIC, AND EXTERNAL PREPARATION FOR SKIN DOW TORAY CO., LTD. (JP) 2019-02-21 US disclosed
US-10077324-B2 Polymers, preparation and use thereof KCI LICENSING, INC. (US) 2018-09-18 US disclosed
US-20160108144-A1 POLYMERS, PREPARATION AND USE THEREOF KCI LICENSING, INC. (US) 2016-04-21 US disclosed
EP-2953992-A1 POLYMERS, PREPARATION AND USE THEREOF KCI Licensing Inc. (US) 2015-12-16 EP disclosed
US-20150119353-A1 ANTIMICROBIAL COMPOSITIONS, THE PREPARATION AND USE THEREOF KCI LICENSING, INC. 2015-04-30 US disclosed
US-20150038400-A1 Compositions, the Preparation and Use Thereof KCI LICENSING, INC. (US) 2015-02-05 US disclosed
WO-2014123665-A1 POLYMERS, PREPARATION AND USE THEREOF KCI LICENSING, INC. (US) 2014-08-14 WO disclosed
US-20130273145-A1 COMPOSITIONS, THE PREPARATION AND USE THEREOF KCI LICENSING, INC. (US) 2013-10-17 US disclosed
WO-2013134269-A2 NEW COMPOSITIONS, THE PREPARATION AND USE THEREOF KCI LICENSING, INC. (US) 2013-09-12 WO disclosed
JP-H1149741-A PRODUCTION OF ALKANOYLAMIDOALKYLAMINE OXIDE KAO CORP 1999-02-23 JP 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-20150119353-A1 ANTIMICROBIAL COMPOSITIONS, THE PREPARATION AND USE THEREOF CUTA, CHCHD6, IMMT LSS 136/4885ALDH1A1 4200/4885TSHR 4829/4885
US-20210338541-A1 METHOD OF USING IN SITU COMPLEXATION OF SURFACTANTS FOR FOAM CONTROL AND CONDITIONING SMARCC2, SMARCC1, SGMS2 LSS 836/4885ALDH1A1 4485/4885TSHR 3835/4885
US-20130273145-A1 COMPOSITIONS, THE PREPARATION AND USE THEREOF CD14, EPCAM, BOD1L1 LSS 449/4885ALDH1A1 3994/4885TSHR 4873/4885

“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.