SCHEMBL3899513

SCHEMBL3899513

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

nearest known ligand 0.38

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 10)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 1/20 0.32
THRB P10828 1/20 0.38
TSHR P16473 3/20 0.37
ALDH1A1 P00352 4/20 0.36
BCHE P06276 1/20 0.32
BBOX1 O75936 1/20 0.32
POLB P06746 2/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 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
Sulfuric Acid SCHEMBL27971333 0.92 THRB (0.41) THRBTSHRALDH1A1BBOX1POLB
Sulfuric Acid Dimethyl Ester SCHEMBL27649716 0.89 THRB (0.39) THRBTSHRALDH1A1POLB
SCHEMBL27590104 0.89 THRB (0.39) THRBTSHRALDH1A1POLB
SCHEMBL671829 0.87 THRB (0.47) THRBTSHRALDH1A1BBOX1POLB
SCHEMBL10797182 0.86 THRB (0.39) THRBTSHRALDH1A1
SCHEMBL27554164 0.85 THRB (0.41) THRBTSHRALDH1A1POLB
SCHEMBL11760936 0.85 TSHR (0.39) THRBTSHRALDH1A1POLB
SCHEMBL9087691 0.85 THRB (0.42) THRBTSHRALDH1A1ACHEBBOX1
Hydrochloric Acid SCHEMBL555449 0.85 THRB (0.50) THRBTSHRALDH1A1BBOX1POLB
SCHEMBL9442198 0.82 TSHR (0.46) THRBTSHRALDH1A1BBOX1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106103638-A Composition for tungsten CMP 嘉柏微电子材料股份公司 2016-11-09 CN claimed
CN-106104763-A Composition for tungsten chemical mechanical polishing 嘉柏微电子材料股份公司 2016-11-09 CN claimed
EP-1062936-B2 Hair cosmetic composition as a water-in-silicone emulsion containing at least a fixing polymer OREAL (FR) 2009-02-25 EP claimed
US-20060188466-A1 Cosmetic composition comprising at least one fixing polymer and at least one amphoteric starch L'OREAL 2006-08-24 US claimed
US-20040180023-A1 Cosmetic composition comprising at least one fixing polymer and at least one amphoteric starch L'OREAL, S.A. 2004-09-16 US claimed
CN-1099281-C Cosmetic fixative composition providing shine OREAL (FR) 2003-01-22 CN claimed
CN-1314137-A Thickened hair composition containing fixing polymer and powder compound OREAL (FR) 2001-09-26 CN claimed
CN-1180308-A Cosmetic composition for setting and glossing OREAL (FR) 1998-04-29 CN claimed
EP-3116969-B1 COMPOSITION FOR TUNGSTEN CMP CMC MAT INC (US) 2023-05-24 EP disclosed
CN-111801142-A Method for improving color durability of artificially colored hair and kit comprising antioxidant potentiating composition 莱雅公司 2020-10-20 CN disclosed
CN-106103639-B Composition for tungsten CMP 嘉柏微电子材料股份公司 2019-06-18 CN disclosed
CN-104603242-B Breaking compositionss and using method 通用电气公司 2017-03-08 CN disclosed
CN-106103638-A Composition for tungsten CMP 嘉柏微电子材料股份公司 2016-11-09 CN disclosed
CN-106104763-A Composition for tungsten chemical mechanical polishing 嘉柏微电子材料股份公司 2016-11-09 CN disclosed
US-20040180023-A1 Cosmetic composition comprising at least one fixing polymer and at least one amphoteric starch L'OREAL, S.A. 2004-09-16 US disclosed
US-20030143180-A1 Hairstyling composition which makes possible remodelling of the hairstyle and process for remodelling the hairstyle using such a composition L'OREAL 2003-07-31 US disclosed
EP-1196130-A1 LOW MOLECULAR WEIGHT WATER SOLUBLE POLYMER COMPOSITION AND METHOD OF USE Calgon Corporation (US) 2002-04-17 EP disclosed
CN-1314137-A Thickened hair composition containing fixing polymer and powder compound OREAL (FR) 2001-09-26 CN disclosed
WO-2001006999-A1 LOW MOLECULAR WEIGHT WATER SOLUBLE POLYMER COMPOSITION AND METHOD OF USE CALGON CORPORATION (US) 2001-02-01 WO disclosed
US-6039933-A COMPRISING A COSMETICALLY ACCEPTABLE MEDIUM CONTAINING AT LEAST ONE BINDING POLYMER, AT LEAST ONE OXYALKYLENE SILICONE AND AT LEAST 30 WT % OF A WATER-SOLUBLE SOLVENT HAVING A BOILING POINT LOWER THAN 85 DEGREES C L'OREAL (FR) 2000-03-21 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 (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-20030143180-A1 Hairstyling composition which makes possible remodelling of the hairstyle and process for remodelling the hairstyle using such a composition KRT18, PIK3C3, FKBP5 ACHE 4789/4885THRB 3561/4885TSHR 3293/4885
US-20040180023-A1 Cosmetic composition comprising at least one fixing polymer and at least one amphoteric starch KRT18, CUTA, DSG1 ACHE 878/4885THRB 4825/4885TSHR 4663/4885
US-20060188466-A1 Cosmetic composition comprising at least one fixing polymer and at least one amphoteric starch KRT18, CUTA, DSG1 ACHE 878/4885THRB 4825/4885TSHR 4663/4885

“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.