SCHEMBL6418327

SCHEMBL6418327

C=CCOC(=O)C(CC(=O)[O-])S(=O)(=O)O.C=CCOC(=O)C(CC(=O)[O-])S(=O)(=O)O.[Mg+2]

nearest known ligand 0.36

Known targets — ChEMBL curated mechanism

ATP4AATP4BGABBR1GABBR2HMGCR

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 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
RECQL P46063 1/20 0.31
TSHR P16473 1/20 0.31
MAPT P10636 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 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
Potassium Ion SCHEMBL11909775 0.97 CYP3A4 (0.33) CYP3A4TDP1RECQLTSHRMAPT
SCHEMBL1961118 0.97 CYP3A4 (0.33) CYP3A4TDP1RECQLTSHRMAPT
SCHEMBL2937133 0.97 CYP3A4 (0.33) CYP3A4TDP1RECQLTSHRMAPT
Ethylene SCHEMBL25418134 0.95 CYP3A4 (0.32) CYP3A4TDP1RECQLTSHRMAPT
Ethylene Glycol SCHEMBL20135732 0.92 CYP3A4 (0.30) CYP3A4
SCHEMBL2937130 0.85 CYP3A4 (0.32) CYP3A4TDP1TSHRMAPTCACNA1B
Phenol SCHEMBL1777269 0.83 CYP3A4 (0.40) CYP3A4TSHR
SCHEMBL1081592 0.83
SCHEMBL1077784 0.82 CASP1 (0.36) CYP3A4TDP1RECQLTSHRMAPT
SCHEMBL87407 0.82 CASP1 (0.36) CYP3A4TDP1RECQLTSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2931237-B1 PERSONAL CARE COMPOSITIONS UNILEVER PLC A COMPANY REGISTERED IN ENGLAND AND WALES UNDER COMPANY NO 41424 OF (GB) 2018-04-04 EP disclosed
EP-2931237-A1 PERSONAL CARE COMPOSITIONS Unilever PLC, a company registered in England and Wales under company no. 41424 of (GB) 2015-10-21 EP disclosed
WO-2014095367-A1 PERSONAL CARE COMPOSITIONS UNILEVER PLC (GB) 2014-06-26 WO disclosed
EP-1029532-B1 Liquid cleansing composition UNILEVER PLC (GB) 2005-05-04 EP disclosed
US-6387857-B2 WASHING COMPOSITION; COSMETICS UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2002-05-14 US disclosed
US-20020010109-A1 PERSONAL CLEANSING COMPOSITION COMPRISING AN ANIONIC SURFACTANT AND HUMECTANT UNILEVER HOME & PERSONAL CARE USA DIVISION OF CONOPCO, INC. 2002-01-24 US disclosed
US-6322799-B1 SKIN CARE OR PERSONAL WASH CLEANSER; SHORTER ESTERS LIKE BUTYL LACTATE PREFERED FOR QUICK DRYING AND MOISTURIZER UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2001-11-27 US disclosed
EP-1105090-A1 COSMETIC COMPOSITION UNILEVER PLC (GB) 2001-06-13 EP disclosed
US-6162775-A Anhydrous liquid cosmetic compositions comprising glycerin and polyalkylene glycol UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. (US) 2000-12-19 US disclosed
WO-2000048565-A1 LIQUID CLEANSING COMPOSITION UNILEVER PLC (GB) 2000-08-24 WO disclosed
EP-0371803-B1 TOPICAL COMPOSITION UNILEVER PLC (GB) 1992-11-11 EP disclosed
US-5139781-A And a cationic cellulose polymer to enhance mildness; for applying to hair or skin CHESEBROUGH-POND'S USA CO., DIVISION OF CONOPCO, INC. (US) 1992-08-18 US disclosed
US-5093112-A Hair and skin cleansers CHESEBROUGH-POND'S U.S.A. CO., DIVISION OF CONOPCO, INC. (US) 1992-03-03 US disclosed
US-5078991-A Shampoo or soap containing dialkyl or dialkenyl phosphate, nonirritating CHESEBROUGH-POND'S USA CO., DIVISION OF CONOPCO, INC. (US) 1992-01-07 US disclosed
EP-0442701-A2 Topical composition UNILEVER PLC (GB) 1991-08-21 EP disclosed
EP-0437347-A1 Topical composition UNILEVER PLC (GB) 1991-07-17 EP disclosed
EP-0371802-A1 Topical composition UNILEVER PLC (GB) 1990-06-06 EP disclosed
EP-0371803-A1 Topical composition UNILEVER PLC (GB) 1990-06-06 EP disclosed
EP-0371801-A1 Topical composition UNILEVER PLC (GB) 1990-06-06 EP disclosed
EP-0371804-A1 Topical composition UNILEVER PLC (GB) 1990-06-06 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 (1 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-20020010109-A1 PERSONAL CLEANSING COMPOSITION COMPRISING AN ANIONIC SURFACTANT AND HUMECTANT ABHD16A, POLR1C, ABHD12 CYP3A4 4503/4885TDP1 139/4885RECQL 151/4885

“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.