SCHEMBL1719781

SCHEMBL1719781

[CH2]c1cc(C(C)(C)C)cc(C(C)(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.52
GABRB2 P47870 1/20 0.52
POLB P06746 1/20 0.42
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HTR1D P28221 2/20 0.36
RXRB P28702 5/20 0.35
RXRA P19793 4/20 0.35
RXRG P48443 3/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.33
TYR P14679 1/20 0.33
CYP2C19 P33261 1/20 0.33
BCHE P06276 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
SCHEMBL16957735 0.87 GABRB2 (0.42) GABRA1GABRB2POLBGAAMAPT
SCHEMBL10698312 0.84 POLB (0.41) GABRA1GABRB2POLBMAPTHTR1D
SCHEMBL93161 0.83 GABRA1 (0.69) GABRA1GABRB2POLBGAAMAPT
SCHEMBL16956188 0.82 GABRA1 (0.37) GABRA1GABRB2POLBGAAMAPT
SCHEMBL16958624 0.82 GABRA1 (0.37) GABRA1GABRB2POLBHTR1D
SCHEMBL16953294 0.82 GABRA1 (0.37) GABRA1GABRB2POLBGAAHTR1D
SCHEMBL9276606 0.82 GABRA1 (0.68) GABRA1GABRB2POLBGAAMAPT
SCHEMBL16954221 0.82 GABRA1 (0.37) GABRA1GABRB2POLBHTR1DCYP2C19
Formaldehyde SCHEMBL22558111 0.80 GABRA1 (0.58) GABRA1GABRB2POLBGAAMAPT
SCHEMBL10415675 0.79 GABRA1 (0.65) GABRA1GABRB2POLBGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11959182-B2 Composite electrodes and methods for the fabrication and use thereof THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2024-04-16 US claimed
CN-117185983-A Bisoxindole compound, preparation method thereof and application thereof in preparation of antibacterial agent 浙江工业大学 2023-12-08 CN claimed
CN-116836190-A Dipyrromethene fluorescent dye containing 3, 5-di-tert-butyl 福州大学 2023-10-03 CN claimed
CN-113423742-B Bis (arylphenoxide) lewis base catalysts and methods thereof 埃克森美孚化学专利公司 2023-05-05 CN claimed
CN-116023388-A Hexahydrofuran [2,3-B ] benzofuran compound, preparation thereof and application thereof in synthesis of aflatoxin B intermediate 浙江工业大学 2023-04-28 CN claimed
CN-112898296-B Axial chiral 4-aryl alpha-carboline compound and asymmetric synthesis method thereof 中国药科大学 2022-02-11 CN claimed
EP-3692101-B1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTR S R L (IT) 2022-01-12 EP claimed
CN-112724168-B Chiral pyridine derived N, B ligand, preparation method and application in iridium-catalyzed asymmetric boronation reaction 西安交通大学 2021-12-28 CN claimed
US-11203654-B2 Bis(aryl phenolate) lewis base catalysts and methods thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2021-12-21 US claimed
US-11186917-B2 Composite electrodes and methods for the fabrication and use thereof THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2021-11-30 US claimed
EP-2627633-A1 N-CYCLOALKYLALKYL TRISCARBAZOLES SOLVAY (Société Anonyme) (BE) 2013-08-21 EP claimed
WO-2012048821-A1 N-CYCLOALKYLALKYL TRISCARBAZOLES SOLVAY SOCIETE ANONYME (BE) 2012-04-19 WO claimed
CN-102311403-A 4,5-diaminocyclopentyl-2-enol derivative BING WANG 2012-01-11 CN claimed
US-20080132539-A1 Hydroxamic Acid Derivative And Age Generation Inhibitor Containing The Derivative KUREHA CORPORATION (JP) 2008-06-05 US claimed
EP-1707560-A1 HYDROXAMIC ACID DERIVATIVE AND AGE GENERATION INHIBITOR CONTAINING THE DERIVATIVE Kureha Corporation (JP) 2006-10-04 EP claimed
US-6991858-B2 Blue light-emitting compound for organic electroluminescent device and organic electroluminescent device using the same SAMSUNG SDI CO., LTD. (KR) 2006-01-31 US claimed
US-20050031903-A1 Iridium compound and organic electroluminescent device using the same SAMSUNG DISPLAY CO., LTD. (KR) 2005-02-10 US claimed
EP-1087005-B1 Fluorescent diketopyrrolopyrroles CIBA SC HOLDING AG (CH) 2004-02-25 EP claimed
US-20040001971-A1 Blue light-emitting compound for organic electroluminescent device and organic electroluminescent device using the same SAMSUNG DISPLAY CO., LTD. (KR) 2004-01-01 US claimed
EP-0642302-B1 METHOD FOR ENHANCING PLANT GROWTH BY APPLYING A COMPOUND, AND SUITABLE COMPOUNDS TROPICANA PROD INC (US) 1998-08-12 EP 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 (4 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-11203654-B2 Bis(aryl phenolate) lewis base catalysts and methods thereof PHKB, TYR, ELL GABRA1 688/4885GABRB2 658/4885POLB 39/4885
US-20080132539-A1 Hydroxamic Acid Derivative And Age Generation Inhibitor Containing The Derivative HDAC5, HDAC1, HDAC9 GABRA1 3973/4885GABRB2 3829/4885POLB 633/4885
US-20040001971-A1 Blue light-emitting compound for organic electroluminescent device and organic electroluminescent device using the same LEF1, ELP1, IK GABRA1 1275/4885GABRB2 2128/4885POLB 2412/4885
US-20050031903-A1 Iridium compound and organic electroluminescent device using the same IK, ALPL, PPIP5K2 GABRA1 3025/4885GABRB2 3124/4885POLB 360/4885

“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.