SCHEMBL15065475

SCHEMBL15065475

CC(C)CC(CCO)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 1/20 0.36
ALOX15 P16050 1/20 0.34
ANPEP P15144 1/20 0.31
ERAP2 Q6P179 1/20 0.31
ERAP1 Q9NZ08 1/20 0.31
TRPA1 O75762 1/20 0.30

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
SCHEMBL1307930 0.82 TSHR (0.35) TSHRALDH1A1ALOX15TRPA1
SCHEMBL28745209 0.81 ALDH1A1 (0.35) TSHRALDH1A1MAPK1ALOX15
SCHEMBL15907701 0.79 TSHR (0.39) TSHRALDH1A1MAPK1ALOX15
SCHEMBL15027382 0.78 TSHR (0.35) TSHRALDH1A1ALOX15TRPA1
SCHEMBL17365007 0.77 TSHR (0.47) TSHRALDH1A1MAPK1ANPEP
SCHEMBL765779 0.77 TSHR (0.47) TSHRALDH1A1MAPK1ANPEP
SCHEMBL5016256 0.77 TSHR (0.47) TSHRALDH1A1MAPK1ANPEP
SCHEMBL890533 0.77
SCHEMBL17464876 0.75 THRB (0.35) TSHR
SCHEMBL17464872 0.75 LMNA (0.37) TSHRALDH1A1MAPK1ALOX15

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102741373-A Adhesives and sealants comprising esters based on 2-propylheptanol BASF SE 2012-10-17 CN claimed
CN-101959838-A Method for the production of (meth)acrylates of C10 alcohol mixtures BASF SE 2011-01-26 CN claimed
CN-100526280-C Hydroformylation of isobutene-containing butenes EXXONMOBIL CHEM PATENTS INC (US) 2009-08-12 CN claimed
CN-1856460-A Hydroformylation of isobutene-containing butenes EXXONMOBIL CHEM PATENTS INC (US) 2006-11-01 CN claimed
US-9670205-B2 Toll like receptor modulator compounds GILEAD SCIENCES, INC. (US) 2017-06-06 US disclosed
US-20160289229-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. 2016-10-06 US disclosed
CN-105683147-A Method for producing carboxylic acid esters and the use thereof as plasticizers 巴斯夫欧洲公司 2016-06-15 CN disclosed
US-20130171385-A1 REACTING CYCLOPENTADIENE AND MALEIC ANHYDRIDE FOR THE PRODUCTION OF PLASTICIZERS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2013-07-04 US disclosed
CN-102741373-A Adhesives and sealants comprising esters based on 2-propylheptanol BASF SE 2012-10-17 CN disclosed
CN-102666455-A Method for producing decanols by means of hydrogenating decenals EVONIK OXENO GMBH 2012-09-12 CN disclosed
CN-102596928-A 2, 5-furandicarboxylic acid ester containing isomeric decanol and application thereof EVONIK OXENO GMBH 2012-07-18 CN disclosed
CN-101959838-A Method for the production of (meth)acrylates of C10 alcohol mixtures BASF SE 2011-01-26 CN disclosed
CN-100526280-C Hydroformylation of isobutene-containing butenes EXXONMOBIL CHEM PATENTS INC (US) 2009-08-12 CN disclosed
CN-1856460-A Hydroformylation of isobutene-containing butenes EXXONMOBIL CHEM PATENTS INC (US) 2006-11-01 CN 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 (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-20130171385-A1 REACTING CYCLOPENTADIENE AND MALEIC ANHYDRIDE FOR THE PRODUCTION OF PLASTICIZERS ADH1A, ADH1C, ADH5 TSHR 3932/4885ALDH1A1 100/4885MAPK1 2960/4885
US-20160289229-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS TLR8, TLR3, TLR6 TSHR 1106/4885ALDH1A1 3811/4885MAPK1 1174/4885

“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.