SCHEMBL3082162

SCHEMBL3082162

[Li]C(C)(C)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 3/20 0.46
TAAR1 Q96RJ0 1/20 0.46
ALOX15 P16050 1/20 0.46
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44
CYP3A4 P08684 1/20 0.44
KCNN4 O15554 4/20 0.43
TSHR P16473 2/20 0.43
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
CYP2B6 P20813 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39

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
SCHEMBL17844155 0.81 MAPK1 (0.50) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL16797533 0.79 ESR1 (0.44) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL5246127 0.75 TAAR1 (0.46) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL96177 0.73 MAPK1 (0.55) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL8982011 0.73 KCNN4 (0.47) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL35881 0.73 ESR1 (0.70) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL14910456 0.73 ESR1 (0.70) MAPK1ALDH1A1TAAR1ALOX15ESR1
Tert-Butylbenzene SCHEMBL22264599 0.73 MAPK1 (0.55) MAPK1ALDH1A1TAAR1ALOX15ESR1
Tert-Butylbenzene SCHEMBL22264597 0.73 MAPK1 (0.55) MAPK1ALDH1A1TAAR1ALOX15ESR1
Tert-Butylbenzene SCHEMBL18889 0.73 MAPK1 (0.55) MAPK1ALDH1A1TAAR1ALOX15ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115850548-A Preparation method of cycloolefin copolymer 中国化学赛鼎宁波工程有限公司 2023-03-28 CN claimed
CN-109206556-A A kind of amine-containing organolithium preparation functionalization butadiene-styrene rubber 中绿新材料(江苏)有限公司 2019-01-15 CN claimed
EP-0402974-B1 Preparation of alkyl methacrylate monomers for anionic polymerization SHELL INT RESEARCH (NL) 1995-09-06 EP claimed
CN-115572341-B Functionalized polyolefin elastomer and preparation method thereof 大连万慷工业科技有限公司 2024-04-23 CN disclosed
CN-116731227-A Preparation method of alpha-olefin oligomer for synthetic lubricating oil base oil 大连理工大学 2023-09-12 CN disclosed
CN-115850548-A Preparation method of cycloolefin copolymer 中国化学赛鼎宁波工程有限公司 2023-03-28 CN disclosed
CN-115572341-A Functionalized polyolefin elastomer and preparation method thereof 大连万慷工业科技有限公司 2023-01-06 CN disclosed
CN-111087508-A Coordination chain transfer polyisoprene system based on amidino rare earth alkyl compound 复旦大学 2020-05-01 CN disclosed
EP-3452518-A1 RUBBER MIXTURE, VULCANIZATE OF THE RUBBER MIXTURE, AND VEHICLE TIRES Continental Reifen Deutschland GmbH (DE) 2019-03-13 EP disclosed
CN-109206556-A A kind of amine-containing organolithium preparation functionalization butadiene-styrene rubber 中绿新材料(江苏)有限公司 2019-01-15 CN disclosed
US-7794632-B2 Process for the preparation of pure aryllithium compounds and their use CHEMETALL GMBH (DE) 2010-09-14 US disclosed
US-20030155665-A1 Process for the preparation of pure aryllithium compounds and their use CHEMETALL GMBH (DE) 2003-08-21 US disclosed
EP-1295887-A1 Preparation of pure aryl lithium compounds and their use Chemetall GmbH (DE) 2003-03-26 EP disclosed
EP-1085029-A1 Process for polymerizing a methacrylic ester or an acrylic ester KURARAY CO., LTD. (JP) 2001-03-21 EP disclosed
EP-1051461-A2 FUEL COMPOSITIONS EMPLOYING CATALYST COMBUSTION STRUCTURE ORR, William C. (US) 2000-11-15 EP disclosed
WO-1999066009-A2 FUEL COMPOSITIONS EMPLOYING CATALYST COMBUSTION STRUCTURE ORR WILLIAM C (US) 1999-12-23 WO disclosed
EP-0954558-A1 FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY ORR, William C. (US) 1999-11-10 EP disclosed
WO-1998026028-A1 FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY ORR WILLIAM C (US) 1998-06-18 WO disclosed
US-5171467-A Reacting two moles of alkali metal with one mole of organic halide and anhydrous magnesium halide in liquid hydrocarbon solvent containing Lewis base FMC CORPORATION (US) 1992-12-15 US disclosed
US-4254238-A Hydrocarbon/ethylene oxide random graft copolymers E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-03-03 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-20030155665-A1 Process for the preparation of pure aryllithium compounds and their use TYR, MLLT3, MLLT1 MAPK1 749/4885ALDH1A1 3105/4885TAAR1 704/4885

“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.