SCHEMBL706086

SCHEMBL706086

CC(C)(C)P(Cc1ccccc1)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.44
SLC6A2 P23975 1/20 0.44
TP53 P04637 1/20 0.42
CYP2D6 P10635 2/20 0.41
LMNA P02545 1/20 0.41
CALM1 P0DP23 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
PRMT1 Q99873 1/20 0.38
TSHR P16473 3/20 0.37
ALDH1A1 P00352 2/20 0.37
SLC18A2 Q05940 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
TRPA1 O75762 2/20 0.36
RIPK1 Q13546 1/20 0.36
IDO1 P14902 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36

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
SCHEMBL1470968 0.87 ESR1 (0.33) SLC6A2
SCHEMBL3683269 0.87 TAAR1 (0.45) TAAR1LMNATSHRALDH1A1IDO1
SCHEMBL1465904 0.83 BCHE (0.37) TAAR1SLC6A2CYP2D6LMNACYP1A2
SCHEMBL6055441 0.81 RIPK1 (0.46) TAAR1SLC6A2TP53CYP2D6LMNA
SCHEMBL11236089 0.80 TAAR1 (0.44) TAAR1SLC6A2TP53CYP2D6LMNA
SCHEMBL3678654 0.79 ESR1 (0.42) TAAR1CYP1A2CYP3A4ALDH1A1
SCHEMBL4449614 0.78 RIPK1 (0.34) TAAR1SLC6A2CYP2D6LMNAALDH1A1
SCHEMBL3689005 0.78 IDO1 (0.42) TAAR1TP53CYP1A2TSHRIDO1
SCHEMBL1466062 0.78 BCHE (0.34) TAAR1SLC6A2
SCHEMBL28400003 0.78 ESR1 (0.44) TAAR1SLC6A2SLC18A2SIGMAR1RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115650894-B Amphoteric calixarene derivative, composite catalyst containing amphoteric calixarene derivative and application of amphoteric calixarene derivative 北京旭阳科技有限公司 2024-04-23 CN claimed
CN-115304441-B Preparation method of amide synthesized by carbon dioxide and olefin 湖南工程学院 2024-03-26 CN claimed
CN-117567282-A Method for preparing dimethyl adipate by palladium-catalyzed butadiene dicarbonylation 华东理工大学 2024-02-20 CN claimed
CN-116003360-B Preparation method for synthesizing orange compounds from carbon dioxide and alkyne 湖南工程学院 2024-01-23 CN claimed
CN-116237086-B Efficient catalyst system for preparing methyl propionate by ethylene carbonylation based on antioxidant strategy 中国科学院长春应用化学研究所 2023-11-03 CN claimed
CN-116851041-A Heterogeneous catalyst for preparing methyl propionate by methyl vinyl hydro-esterification 中国科学院过程工程研究所 2023-10-10 CN claimed
CN-116854921-A Phosphine functional polymer carrier for ethylene hydro-methyl esterification reaction and preparation method thereof 中国科学院过程工程研究所 2023-10-10 CN claimed
CN-116802187-A Organometallic compounds 优米科尔股份公司及两合公司 2023-09-22 CN claimed
CN-114849786-B Imidazole sulfonic acid ionic liquid-based palladium phosphine complex catalyst for synthesizing methyl propionate through ethylene hydro-methyl esterification 中国科学院过程工程研究所 2023-09-05 CN claimed
CN-115403465-B Preparation method for synthesizing organic carboxylic ester by carbon dioxide and olefin 湖南工程学院 2023-08-18 CN claimed
CN-102869698-A Polymers made of renewable resources BASF SE 2013-01-09 CN claimed
CN-102625731-A Palladium catalyst system comprising zwitterion and/or acid-functionalized ionic liquid TECHNICAL UNIVERISTY OF DENMARK 2012-08-01 CN claimed
US-8153794-B2 Catalysts useful for catalyzing the coupling of arylhalides with arylboronic acids E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-04-10 US claimed
JP-4808401-B2 2011-11-02 JP claimed
US-20090054650-A1 Novel Catalysts Useful for Catalyzing the Coupling of Arylhalides with Arylboronic Acids IONKIN ALEX SERGEY 2009-02-26 US claimed
US-7265240-B2 With CO in the presence of a source of hydroxyl groups (water or an alcohol) and a catalyst obtained by combining a Group VIII metal or a compound thereof and a bidentate phosphine, e.g., tri(dibenzylideneacetone)di-palladium LUCITE INTERNATIONAL UK LIMITED (GB) 2007-09-04 US claimed
US-20060281923-A1 Novel catalysts useful for catalyzing the coupling of arylhalides with arylboronic acids E. I. DU PONT DE NEMOURS AND COMPANY 2006-12-14 US claimed
JP-2005535695-A 2005-11-24 JP claimed
EP-1527038-A1 PROCESS FOR THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUDS Lucite International UK Limited (GB) 2005-05-04 EP claimed
WO-2004014834-A1 PROCESS FOR THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUDS LUCITE INTERNATIONAL UK LIMITED (GB) 2004-02-19 WO 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 (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-20090054650-A1 Novel Catalysts Useful for Catalyzing the Coupling of Arylhalides with Arylboronic Acids DDT, AHR, DDC TAAR1 403/4885SLC6A2 1181/4885TP53 3600/4885
US-20060281923-A1 Novel catalysts useful for catalyzing the coupling of arylhalides with arylboronic acids DDT, AHR, DDC TAAR1 403/4885SLC6A2 1181/4885TP53 3600/4885

“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.