SCHEMBL5016256

SCHEMBL5016256

CC(C)CC(CO)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
ANPEP P15144 1/20 0.32
RNPEP Q9H4A4 1/20 0.31
SLC7A5 Q01650 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
SCHEMBL765779 1.00 TSHR (0.47) TSHRTDP1ALDH1A1MAPK1ANPEP
SCHEMBL17365007 1.00 TSHR (0.47) TSHRTDP1ALDH1A1MAPK1ANPEP
SCHEMBL4610047 0.87 TSHR (0.44) TSHRTDP1
SCHEMBL13143420 0.84 TSHR (0.50) TSHRTDP1ALDH1A1MAPK1ANPEP
SCHEMBL1613823 0.80 TSHR (0.40) TSHRTDP1
SCHEMBL9989406 0.79 TSHR (0.41) TSHRTDP1ALDH1A1MAPK1ANPEP
SCHEMBL571433 0.79
SCHEMBL7249315 0.79 TSHR (0.44) TSHRTDP1ALDH1A1MAPK1ANPEP
SCHEMBL4611087 0.79 TSHR (0.39) TSHRTDP1
SCHEMBL1614947 0.79 TSHR (0.44) TSHRTDP1ALDH1A1MAPK1ANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118234830-A Selective wet etching composition and method 恩特格里斯公司 2024-06-21 CN disclosed
US-20240198157-A1 PREPARATION OF A FOAM STABILIZING COMPOSITION INCLUDING A SILOXANE CATIONIC SURFACTANT AND A METAL SALT DOW SILICONES CORP (US) 2024-06-20 US disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-11795159-B2 Compounds for the treatment of SARS PURDUE RESEARCH FOUNDATION (US) 2023-10-24 US disclosed
US-RE49687-E1 Thienopyrimidine and thienopyridine compounds and methods of use thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2023-10-10 US disclosed
US-20230270751-A1 BENZODIAZEPINE DERIVATIVES USEFUL IN TREATING A RESPIRATORY SYNCYTIAL VIRUS INFECTION PFIZER INC. 2023-08-31 US disclosed
US-11708446-B2 Polymers and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-07-25 US disclosed
US-11679292-B2 Cationic surfactant foam stabilizing composition DOW SILICONES CORPORATION (US) 2023-06-20 US disclosed
US-10202379-B2 Substituted polycyclic carbamoyl pyridone derivative prodrug SHIONOGI & CO., LTD. (JP) 2019-02-12 US disclosed
US-20180208699-A1 POLYMERS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2018-07-26 US disclosed
US-20110218194-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS Schering Corporation & Pharmacopeia Drug Discovery Inc. (US) 2011-09-08 US disclosed
US-20110105463-A1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2011-05-05 US disclosed
US-7700603-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2010-04-20 US disclosed
US-7459460-B2 Trisubstituted heteroaromatic compounds as calcium sensing receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-02 US disclosed
US-7459460-B2 Trisubstituted heteroaromatic compounds as calcium sensing receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-02 US disclosed
EP-1713749-B1 METHOD FOR THE PRODUCTION OF OLEFINS COMPRISING 8 TO 12 CARBON ATOMS EVONIK OXENO GMBH (DE) 2008-07-23 EP disclosed
US-20070135665-A1 Method for the production of olefins comprising 8 to 12 carbon atoms EVONIK OXENO GMBH (DE) 2007-06-14 US disclosed
CN-1914138-A Method for preparing olefin containing 8-12 carbon atoms OXENO OLEFINCHEMIE GMBH (DE) 2007-02-14 CN disclosed
EP-1713749-A1 METHOD FOR THE PRODUCTION OF OLEFINS COMPRISING 8 TO 12 CARBON ATOMS Oxeno Olefinchemie GmbH (DE) 2006-10-25 EP disclosed
WO-2005080302-A1 METHOD FOR THE PRODUCTION OF OLEFINS COMPRISING 8 TO 12 CARBON ATOMS OXENO OLEFINCHEMIE GMBH (DE) 2005-09-01 WO 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 (7 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-20230270751-A1 BENZODIAZEPINE DERIVATIVES USEFUL IN TREATING A RESPIRATORY SYNCYTIAL VIRUS INFECTION CNR1, CNR2, SIGMAR1 TSHR 80/4885TDP1 4627/4885ALDH1A1 2970/4885
US-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 TSHR 4679/4885TDP1 611/4885ALDH1A1 656/4885
US-20070135665-A1 Method for the production of olefins comprising 8 to 12 carbon atoms ADH1A, ADH1C, HPD TSHR 4769/4885TDP1 4010/4885ALDH1A1 24/4885
US-20110218194-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 TSHR 1151/4885TDP1 534/4885ALDH1A1 4505/4885
US-11795159-B2 Compounds for the treatment of SARS ACE2, ACE, SARS1 TSHR 4314/4885TDP1 4473/4885ALDH1A1 3093/4885
US-20110105463-A1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES GPR52, CD22, CD4 TSHR 500/4885TDP1 3146/4885ALDH1A1 756/4885
US-10202379-B2 Substituted polycyclic carbamoyl pyridone derivative prodrug PREP, UNG, DPP4 TSHR 3454/4885TDP1 293/4885ALDH1A1 1564/4885

“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.