SCHEMBL116747

SCHEMBL116747

CC(C)CCOCC(O)CO

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.53
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 3/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 3/20 0.36
LMNA P02545 2/20 0.36
AGTR1 P30556 1/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
HTT P42858 1/20 0.34
PLA2G2C Q5R387 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL1836709 0.88 HSD17B10 (0.48) USP2HSD17B10ALDH1A1GAATDP1
SCHEMBL7140115 0.87 USP2 (0.47) USP2HSD17B10ALDH1A1GAATDP1
SCHEMBL118299 0.87 USP2 (0.60) USP2HSD17B10TDP1LMNAAGTR1
SCHEMBL3442290 0.86 USP2 (0.53) USP2HSD17B10ALDH1A1TDP1LMNA
Glycerin SCHEMBL2360712 0.86 ALDH1A1 (0.45) USP2HSD17B10ALDH1A1GAATDP1
SCHEMBL3574123 0.85 USP2 (0.49) USP2HSD17B10ALDH1A1GAATDP1
SCHEMBL10961284 0.85 USP2 (0.49) USP2HSD17B10ALDH1A1GAATDP1
SCHEMBL16670352 0.85 USP2 (0.49) USP2HSD17B10ALDH1A1GAATDP1
SCHEMBL17188306 0.85 USP2 (0.44) USP2HSD17B10ALDH1A1GAATDP1
SCHEMBL25200006 0.84 USP2 (0.67) USP2HSD17B10LMNAAGTR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020254577-A1 HYDROTROPIC EXTRACTION GIVAUDAN SA (CH) 2020-12-24 WO claimed
EP-2320863-B1 CLEANSING COMPOSITION KAO GERMANY GMBH (DE) 2018-05-16 EP claimed
EP-2320855-B1 CONDITIONING COMPOSITION FOR HAIR KAO GERMANY GMBH (DE) 2017-12-27 EP claimed
US-20170258701-A1 CLEANSING COMPOSITION KAO GERMANY GMBH (DE) 2017-09-14 US claimed
US-9695330-B2 Liquid composition, pigment dispersion liquid, and aqueous ink composition for ink jet recording SEIKO EPSON CORPORATION (JP) 2017-07-04 US claimed
US-20170112739-A1 CLEANSING COMPOSITION KAO GERMANY GMBH (DE) 2017-04-27 US claimed
US-20160257834-A1 LIQUID COMPOSITION, PIGMENT DISPERSION LIQUID, AND AQUEOUS INK COMPOSITION FOR INK JET RECORDING SEIKO EPSON CORPORATION (JP) 2016-09-08 US claimed
EP-2320862-B1 CLEANSING COMPOSITION KAO GERMANY GMBH (DE) 2016-04-27 EP claimed
EP-2320856-B1 CONDITIONING COMPOSITION FOR HAIR KAO GERMANY GMBH (DE) 2015-11-11 EP claimed
US-8545827-B2 Conditioning composition for hair KAO GERMANY GMBH (DE) 2013-10-01 US claimed
CN-1371269-A Compositions containing solubilized antiperspirant active PROCTER & GAMBLE (US) 2002-09-25 CN claimed
US-6416750-B1 MIXING ALUMINUM CHLOROHYDRATE, WATER, AND DIOL SOLVENT, SPRAY DRYING TO FORM POWDER, AND DISSOLVING INTO 1,2-DIOL SOLVENT (1,2-HEXANEDIOL); INCREASED FORMULATION FLEXIBILITY; LESS ENERGY INTENSIVE PROCESS SOMERVILLE TECHNOLOGY GROUP, INC. 2002-07-09 US claimed
US-6399049-B1 LIQUID 1,2-HYDROXYALKYL AMIDE, ESTER, ETHER, SILICONE OR ALKYL COMPOUND CARRIERS; NONIRRITATING; THE PROCTER & GAMBLE COMPANY 2002-06-04 US claimed
EP-1206238-A2 COMPOSITIONS CONTAINING SOLUBILIZED ANTIPERSPIRANT ACTIVE THE PROCTER & GAMBLE COMPANY (US) 2002-05-22 EP claimed
EP-1206237-A1 COMPOSITIONS CONTAINING SOLUBILIZED, ACID-ENHANCED ANTIPERSPIRANT ACTIVE THE PROCTER & GAMBLE COMPANY (US) 2002-05-22 EP claimed
WO-2001013869-A2 COMPOSITIONS CONTAINING SOLUBILIZED ANTIPERSPIRANT ACTIVE THE PROCTER & GAMBLE COMPANY (US) 2001-03-01 WO claimed
WO-2001013872-A1 COMPOSITIONS CONTAINING SOLUBILIZED, ACID-ENHANCED ANTIPERSPIRANT ACTIVE THE PROCTER & GAMBLE COMPANY (US) 2001-03-01 WO claimed
US-6126928-A Compositions containing solubilized, acid-enhanced antiperspirant active THE PROCTER & GAMBLE COMPANY (US) 2000-10-03 US claimed
CN-1219953-A Fabric softening compound/composition PROCTER & GAMBLE (US) 1999-06-16 CN claimed
CN-1195369-A Concentrated and stable fabric softening compositions PROCTER & GAMBLE (US) 1998-10-07 CN claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20170258701-A1 CLEANSING COMPOSITION DSG1, DEGS1, SEPTIN7 USP2 2429/4885HSD17B10 1247/4885ALDH1A1 4291/4885
US-20170112739-A1 CLEANSING COMPOSITION KRT18, DSG1, VCL USP2 1444/4885HSD17B10 2977/4885ALDH1A1 4751/4885

“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.