SCHEMBL1708995

SCHEMBL1708995

CCC(C)(CC(C)=O)C(C)=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
GAA P10253 1/20 0.31
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 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
SCHEMBL13240553 0.86 HMGCR (0.41) ALDH1A1TDP1CYP2D6TSHRCYP2C19
SCHEMBL35107 0.83
SCHEMBL14094940 0.82 TSHR (0.50) ALDH1A1TDP1CYP2D6TSHRCYP2C19
SCHEMBL18133076 0.81 ALDH1A1 (0.32) ALDH1A1TDP1CYP2D6TSHRCYP2C19
SCHEMBL14886607 0.80 ALDH1A1 (0.31) ALDH1A1TDP1
SCHEMBL14727815 0.79 CYP2D6 (0.35) ALDH1A1TDP1CYP2D6TSHRCYP2C19
SCHEMBL16175936 0.78 TDP1 (0.35) ALDH1A1TDP1CYP2D6TSHRCYP2C19
SCHEMBL19652073 0.77 ALDH1A1 (0.32) ALDH1A1TDP1CYP2D6TSHRCYP2C19
SCHEMBL13896469 0.76
SCHEMBL21348229 0.75 HMGCR (0.33) CYP2D6TSHRCYP2C19HIF1AHMGCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8361220-B2 Strength improvement admixture CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2013-01-29 US disclosed
US-20120298013-A1 Strength Improvement Admixture CONSTRUCTION RESEARCH & TECHNOLOGY GMBH 2012-11-29 US disclosed
US-20120088658-A1 Composition comprising a pesticide and a polycarboxylate ether BASF SE (DE) 2012-04-12 US disclosed
US-8088842-B2 Solubilized defoamers for cementitious compositions CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2012-01-03 US disclosed
US-20110218289-A1 MIXTURE COMPOSITION CONTAINING COPOLYMERS BASED ON UNSATURATED CARBOXYLIC ACID AND ALKENYL ETHER DERIVATIVES AND COPOLYMERS AND TERPOLYMERS CONTAINING SULFO GROUPS AND USE THEREOF MAIER MARKUS 2011-09-08 US disclosed
US-20110136944-A1 COPOLYMERS BASED ON UNSATURATED MONO- OR DICARBOXYLIC ACID DERIVATIVES AND OXYALKYLENEGLYCOL-ALKENYL ETHERS, PROCESSES FOR THE PRODUCTION AND USE THEREOF EVONIK DEGUSSA GMBH (DE) 2011-06-09 US disclosed
US-7736412-B1 Gypsum fertilizer products with polymer adjuvants SPECIALTY FERTILIZER PRODUCTS, LLC (US) 2010-06-15 US disclosed
US-7686863-B1 Gypsum fertilizer products with polymer adjuvants SPECIALTY FERTILIZER PRODUCTS, LLC (US) 2010-03-30 US disclosed
US-7666241-B2 Fertilizer-polymer mixtures which inhibit nitrification in soils SPECIALTY FERTILIZER PRODUCTS, LLC (US) 2010-02-23 US disclosed
US-20080173053-A1 FERTILIZER-POLYMER MIXTURES WHICH INHIBIT NITRIFICATION IN SOILS SPECIALTY FERTILIZER PRODUCTS (US) 2008-07-24 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 (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-20120088658-A1 Composition comprising a pesticide and a polycarboxylate ether DDT, CA3, PIK3C3 ALDH1A1 1952/4885TDP1 3083/4885CYP2D6 2577/4885

“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.