SCHEMBL438553

SCHEMBL438553

CC(C)(C)c1cccc(C(C)(C)C)c1[O]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.55
GABRA1 P14867 1/20 0.46
GABRB2 P47870 1/20 0.46
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
TSHR P16473 1/20 0.46
KIF11 P52732 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
ALOX12 P18054 1/20 0.38
ALOX5 P09917 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
ALOX15 P16050 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
ATP2A2 P16615 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ATP2A3 Q93084 1/20 0.33
ATM Q13315 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
SCHEMBL8976394 0.86 CA2 (0.43) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL396284 0.85 GABRA1 (0.56) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL1274717 0.79 GABRA1 (0.41) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL11239902 0.78 CA2 (0.40) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL2261916 0.78 CA2 (0.40) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL1274720 0.78 CA2 (0.40) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL22686107 0.78 CA2 (0.44) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL1274942 0.76 CA2 (0.39) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL1535127 0.76 CA2 (0.48) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL29260335 0.76 NPC1 (0.37) CA2GABRA1GABRB2ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3662996-A2 MOLYBDENUM AND TUNGSTEN COMPLEXES AS OLEFIN METATHESIS CATALYSTS AND REACTIONS USING THE CATALYSTS Verbio Vereinigte BioEnergie AG (DE) 2020-06-10 EP claimed
US-10343153-B2 Metathesis catalysts and reactions using the catalysts XIMO AG (CH) 2019-07-09 US claimed
CN-109415459-A Copolymer and preparation method thereof based on alkene LG化学株式会社 2019-03-01 CN claimed
US-9924721-B2 Malonic ester derivatives of heteroarylpiperidines and -piperazines as fungicides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-03-27 US claimed
CN-104974321-B A kind of methyl-etherified melamine resin and preparation method thereof 江苏国立化工科技有限公司 2017-07-07 CN claimed
US-9499455-B2 Process for the selective dimerisation of ethylene to 1-butene IFP Energies Nouvelles (FR) 2016-11-22 US claimed
US-20160198713-A1 Malonic ester derivatives of heteroarylpiperidines and -piperazines as fungicides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-07-14 US claimed
EP-3039023-A1 MALONIC ESTER DERIVATIVES OF HETEROARYLPIPERIDINES AND -PIPERAZINES AS FUNGICIDES Bayer CropScience Aktiengesellschaft (DE) 2016-07-06 EP claimed
CN-105705503-A Malonic ester derivatives of heteroarylpiperidines and -piperazines as fungicides 拜耳作物科学股份公司 2016-06-22 CN claimed
US-20160030936-A1 METATHESIS CATALYSTS AND REACTIONS USING THE CATALYSTS VERBIO SE (DE) 2016-02-04 US claimed
WO-2003024939-A2 TRIAZINE COMPOUNDS POLYMERS COMPRISING TRIAZINE STRUCTURAL UNITS, AND PROCESSES FOR THE PREPARATION OF THESE POLYMERS GENERAL ELECTRIC COMPANY (US) 2003-03-27 WO claimed
EP-1105397-B1 THREE COORDINATE ALUMINUM CATALYST ACTIVATOR COMPOSITION DOW GLOBAL TECHNOLOGIES INC (US) 2003-03-05 EP claimed
US-6528449-B1 Polymerization catalysts such as /tertbutylamido/tetramethyl-cyclopentadienyl/ dimethylsilanetitanium 1,3-pentadiene and isobutyl(perfluorophenyl)-4,6-di-(t-butyl) phenoxyaluminum THE DOW CHEMICAL COMAPNY 2003-03-04 US claimed
CN-1098864-C Polymerization catalyst containing active free radical of Lewis acid and its use UNIV HUADONG SCI & ENG (CN) 2003-01-15 CN claimed
US-20020034829-A1 Combinatorial synthesis and analysis of metal-ligand compositions using soluble metal precursors SYMYX TECHNOLOGIES, INC. 2002-03-21 US claimed
CN-1314919-A method for hydrogenating conjugated diene polymer KOREA KUMHO PHTROCHEMICAL CO L (KR) 2001-09-26 CN claimed
EP-1105397-A1 THREE COORDINATE ALUMINUM CATALYST ACTIVATOR COMPOSITION THE DOW CHEMICAL COMPANY (US) 2001-06-13 EP claimed
US-6187940-B1 A FLUORINATED AROMATIC HYDROCARBYL ALUMINUM COMPOUND USE AS ACTIVATORS FOR ACTIVATION OF METAL COMPLEXES IN OLEFIN POLYMERIZATIONS; IMPROVED EFFICIENCY AND OPERABILITY THE DOW CHEMICAL COMPANY 2001-02-13 US claimed
WO-2000009513-A1 THREE COORDINATE ALUMINUM CATALYST ACTIVATOR COMPOSITION THE DOW CHEMICAL COMPANY (US) 2000-02-24 WO claimed
CN-1210868-A Polymerization catalyst containing active free radical of Lewis acid and its use UNIV HUADONG SCI & ENG (CN) 1999-03-17 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 (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-10343153-B2 Metathesis catalysts and reactions using the catalysts MSMO1, SQLE, MOGAT2 CA2 3454/4885GABRA1 4062/4885GABRB2 4126/4885
US-20160198713-A1 Malonic ester derivatives of heteroarylpiperidines and -piperazines as fungicides ME1, CYP1A1, CYP1A2 CA2 378/4885GABRA1 1133/4885GABRB2 2077/4885
US-20160030936-A1 METATHESIS CATALYSTS AND REACTIONS USING THE CATALYSTS MSMO1, SQLE, PYM1 CA2 3970/4885GABRA1 4622/4885GABRB2 4655/4885

“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.