SCHEMBL593116

SCHEMBL593116

CCCCCCCCCCCCCCCC[N+](CC)(CC)CC.COS(=O)(=O)[O-]

nearest known ligand 0.61

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 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 4/20 0.61
SLC22A1 O15245 3/20 0.50
TSHR P16473 3/20 0.48
HIF1A Q16665 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SLC22A2 O15244 1/20 0.46
RECQL P46063 2/20 0.46
GLA P06280 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
EPHX2 P34913 1/20 0.46
BLM P54132 1/20 0.46
LMNA P02545 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL30255439 1.00 DNM1 (0.61) DNM1SLC22A1TSHRHIF1AALDH1A1
SCHEMBL8493186 1.00 DNM1 (0.61) DNM1SLC22A1TSHRHIF1AALDH1A1
SCHEMBL11246390 1.00 DNM1 (0.61) DNM1SLC22A1TSHRHIF1AALDH1A1
SCHEMBL9725302 0.96 DNM1 (0.56) DNM1SLC22A1TSHRHIF1AALDH1A1
SCHEMBL11327190 0.96 DNM1 (0.56) DNM1SLC22A1TSHRHIF1AALDH1A1
SCHEMBL11820465 0.96 DNM1 (0.56) DNM1SLC22A1TSHRHIF1AALDH1A1
SCHEMBL9445742 0.96 DNM1 (0.56) DNM1SLC22A1TSHRHIF1AALDH1A1
SCHEMBL11282675 0.96 DNM1 (0.56) DNM1SLC22A1TSHRHIF1AALDH1A1
SCHEMBL11673956 0.96 DNM1 (0.56) DNM1SLC22A1TSHRHIF1AALDH1A1
SCHEMBL11272591 0.94 SLC22A1 (0.56) DNM1SLC22A1TSHRHIF1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102844015-B Sunscreen composition SHISEIDO CO.,LTD. (JP) 2015-09-09 CN claimed
CN-114452225-B Method for producing film 花王株式会社 2025-02-14 CN disclosed
CN-117083050-A Aqueous slurry, emulsion, cosmetic, method for producing aqueous slurry, method for producing water-in-oil emulsion, and method for producing oil-in-water emulsion 株式会社资生堂 2023-11-17 CN disclosed
CN-113347959-B Cosmetic with white turbidity 株式会社资生堂 2023-10-27 CN disclosed
CN-116940337-A Oil-in-water type cosmetic 株式会社资生堂 2023-10-24 CN disclosed
EP-3613404-B1 METHOD FOR PRODUCING FILM KAO CORP (JP) 2023-09-13 EP disclosed
CN-116685305-A Cleaning composition 日本乐敦制药株式会社 2023-09-01 CN disclosed
CN-112804986-B Water-in-oil emulsion composition 株式会社资生堂 2023-05-02 CN disclosed
CN-111093615-B Aqueous gelling agent-containing cleansing composition for skin or hair, aqueous gelling agent, and method for producing cleansing composition 株式会社ADEKA 2023-04-18 CN disclosed
CN-111093616-B Cosmetic composition containing aqueous gelling agent, and method for producing cosmetic composition 株式会社ADEKA 2023-02-28 CN disclosed
US-20060029559-A1 Hair care composition DOW TORAY CO., LTD. (JP) 2006-02-09 US disclosed
US-20060018867-A1 Cosmetic composition and production thereof ICHIMARU PHARCOS CO., LTD 2006-01-26 US disclosed
EP-1604647-A1 Cosmetic composition containing polyorganosiloxane-containing epsilon-polylysine polymer, and polyhydric alcohol, and production thereof Ichimaru Pharcos Co., Ltd. (JP) 2005-12-14 EP disclosed
EP-1380282-B1 COSMETIC HAIR PREPARATION COMPOSITION GE TOSHIBA SILICONES CO LTD (JP) 2005-11-30 EP disclosed
EP-1586297-A1 HAIR CARE COMPOSITION Dow Corning Toray Co., Ltd. (JP) 2005-10-19 EP disclosed
US-20040131570-A1 Cosmetic hair preparation composition MOMENTIVE PERFORMANCE MATERIALS INC. 2004-07-08 US disclosed
EP-1380282-A1 COSMETIC HAIR PREPARATION COMPOSITION GE TOSHIBA SILICONES CO., LTD. (JP) 2004-01-14 EP disclosed
EP-1295591-A1 HAIR GROOMING PREPARATION SHISEIDO COMPANY LIMITED (JP) 2003-03-26 EP disclosed
US-20030012761-A1 Hair grooming preparation SHISEIDO COMPANY, LTD. (JP) 2003-01-16 US disclosed
US-5888488-A MIXTURE OF QUATERNARY AMMONIUM COMPOUND, FATTY ALCOHOL AND HIGH MOLECULAR WEIGHT SILICONE SHISEIDO COMPANY LTD. (JP) 1999-03-30 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 (4 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-20040131570-A1 Cosmetic hair preparation composition H1-0, H1-4, SRM DNM1 4768/4885SLC22A1 583/4885TSHR 1328/4885
US-20030012761-A1 Hair grooming preparation SHH, ITCH, SPAST DNM1 1903/4885SLC22A1 2602/4885TSHR 2939/4885
US-20060018867-A1 Cosmetic composition and production thereof CUTA, PARG, TYR DNM1 1529/4885SLC22A1 3946/4885TSHR 3312/4885
US-20060029559-A1 Hair care composition KRT18, POLR1C, CUTA DNM1 1081/4885SLC22A1 3681/4885TSHR 3254/4885

“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.