SCHEMBL574953

SCHEMBL574953

CCCC(=O)C=Cc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.70
IAPP P10997 2/20 0.62
HAO1 Q9UJM8 1/20 0.59
GLA P06280 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
NPC1 O15118 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HSP90AA1 P07900 2/20 0.55
MAPT P10636 3/20 0.55
HDAC3 O15379 3/20 0.55
HDAC4 P56524 2/20 0.55
HDAC1 Q13547 2/20 0.55
HDAC2 Q92769 2/20 0.55
HDAC8 Q9BY41 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
TNKS O95271 1/20 0.55
HCAR2 Q8TDS4 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55

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
SCHEMBL574952 1.00 ALDH1A1 (0.70) ALDH1A1IAPPHAO1GLATDP1
SCHEMBL3395879 0.89 ALDH1A1 (0.66) ALDH1A1IAPPHAO1GLATDP1
SCHEMBL3395878 0.89 ALDH1A1 (0.66) ALDH1A1IAPPHAO1GLATDP1
SCHEMBL13039630 0.88 ALDH1A1 (0.88) ALDH1A1HAO1GLATDP1NPC1
SCHEMBL861926 0.87 ALDH1A1 (0.64) ALDH1A1IAPPHAO1GLATDP1
SCHEMBL160048 0.87 ALDH1A1 (0.64) ALDH1A1IAPPHAO1GLATDP1
SCHEMBL1357415 0.87 ALDH1A1 (0.54) ALDH1A1IAPPHAO1GLATDP1
SCHEMBL3398185 0.86 APP (0.66) ALDH1A1IAPPHAO1GLATDP1
SCHEMBL9019324 0.86 APP (0.66) ALDH1A1IAPPHAO1GLATDP1
SCHEMBL10954039 0.86 APP (0.66) ALDH1A1IAPPHAO1GLATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112430473-B Method for synthesizing biomass high-density aviation fuel by using damascenone as raw material 西安交通大学 2021-08-13 CN claimed
CN-112430473-A Method for synthesizing biomass high-density aviation fuel by using damascenone as raw material 西安交通大学 2021-03-02 CN claimed
US-8981158-B2 Oxidation of cyclohexylbenzene EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-03-17 US claimed
US-20140336417-A1 Oxidation of Cyclohexylbenzene EXXONMOBIL CHEMICAL PATENTS INC. 2014-11-13 US claimed
WO-2013095791-A1 OXIDATION OF CYCLOHEXYLBENZENE EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-06-27 WO claimed
US-8318085-B2 Methods and compositions for inhibiting metal corrosion HALLIBURTON ENERGY SERVICES, INC. (US) 2012-11-27 US claimed
US-20120035086-A1 Methods and Compositions for Inhibiting Metal Corrosion HALLIBURTON ENERGY SERVICES, INC. (US) 2012-02-09 US claimed
CN-102300550-A Perfume systems 2011-12-28 CN claimed
US-8062586-B2 Methods and compositions for inhibiting metal corrosion HALLIBURTON ENERGY SERVICES, INC. (US) 2011-11-22 US claimed
EP-2362765-A2 PERFUME SYSTEMS The Procter & Gamble Company (US) 2011-09-07 EP claimed
EP-1894912-B1 Process for producing racemic 3-hydroxy-3-(2-phenylethyl) hexanoic acid ester SUMITOMO CHEMICAL CO (JP) 2009-08-05 EP claimed
EP-1894912-A1 Process for producing racemic 3-hydroxy-3-(2-phenylethyl) hexanoic acid ester Sumitomo Chemical Company, Limited (JP) 2008-03-05 EP claimed
EP-1689911-A1 METHODS AND COMPOSITIONS FOR INHIBITING METAL CORROSION Halliburton Energy Services, Inc. (US) 2006-08-16 EP claimed
US-7038075-B2 Production method of racemic 3-hydroxy-3-(2-phenylethyl)hexanoic acid C1-6 alkyl ester SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-05-02 US claimed
WO-2005054544-A1 METHODS AND COMPOSITIONS FOR INHIBITING METAL CORROSION HALLIBURTON ENERGY SERVICES, INC. (US) 2005-06-16 WO claimed
US-20050123437-A1 Methods and compositions for inhibiting metal corrosion HALLIBURTON ENERGY SERVICES, INC. 2005-06-09 US claimed
EP-1481961-A1 PROCESS FOR PRODUCING (R)-3-HYDROXY-3-(2-PHENYLETHYL)HEXANOIC ACID AND ITS INTERMEDIATE Sumitomo Chemical Company, Limited (JP) 2004-12-01 EP claimed
US-20040138496-A1 Production method of (R)-3- hydroxy-3-(2-phenylethyl)hexanoic acid and intermediate thereof SUMIKA FINE CHEMICALS CO., LTD. (JP) 2004-07-15 US claimed
US-6683207-B2 RESOLUTION USING 1-AMINO-1-PHENYLETHANE DERIVATIVE SUMIKA FINE CHEMICALS CO., LTD. (JP) 2004-01-27 US claimed
US-20030176507-A1 Production method of (R) -3 hydroxy-3- (2-phenylethyl) hexanoic acid and intermediate thereof SUMIKA FINE CHEMICALS CO., LTD. (JP) 2003-09-18 US 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 (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-20040138496-A1 Production method of (R)-3- hydroxy-3-(2-phenylethyl)hexanoic acid and intermediate thereof HAAO, HPD, HAO2 ALDH1A1 76/4885IAPP 2186/4885HAO1 5/4885
US-20140336417-A1 Oxidation of Cyclohexylbenzene CYP1B1, AOX1, CBR1 ALDH1A1 181/4885IAPP 3920/4885HAO1 52/4885
US-20030176507-A1 Production method of (R) -3 hydroxy-3- (2-phenylethyl) hexanoic acid and intermediate thereof HAAO, HPD, HAO2 ALDH1A1 62/4885IAPP 2041/4885HAO1 5/4885

“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.