SCHEMBL3689119

SCHEMBL3689119

Cc1cc(C)cc(Sc2cc(C)cc(C)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
TSHR P16473 4/20 0.44
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
IDO1 P14902 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38
TUBB6 Q9BUF5 1/20 0.38
TUBB2B Q9BVA1 1/20 0.38
TUBB1 Q9H4B7 1/20 0.38
ACHE P22303 2/20 0.37
NOTUM Q6P988 1/20 0.35

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
SCHEMBL14252153 0.97 ALDH1A1 (0.42) ALDH1A1TSHRTUBB4ATUBBTUBA3C
SCHEMBL7187600 0.86 ALDH1A1 (0.63) ALDH1A1TSHRTUBB4ATUBBTUBA3C
SCHEMBL19265598 0.86 MLYCD (0.45) ALDH1A1TSHRACHECYP3A4MAPK1
SCHEMBL4804097 0.84 ALDH1A1 (0.43) ALDH1A1TSHRACHEMAPTTDP1
SCHEMBL10708933 0.84 ACHE (0.46) ALDH1A1TSHRTUBB4ATUBBTUBA3C
SCHEMBL9488183 0.82 ACHE (0.57) ALDH1A1IDO1ACHENOTUMMAPK1
SCHEMBL14252186 0.82 ALDH1A1 (0.32) ALDH1A1TSHRTUBB4ATUBBTUBA3C
SCHEMBL4801171 0.80 NR1H2 (0.64) ALDH1A1TSHRACHECYP3A4MAPK1
SCHEMBL14252182 0.80 ALDH1A1 (0.50) ALDH1A1IDO1ACHECYP3A4
SCHEMBL11947057 0.80 ALDH1A1 (0.44) ALDH1A1TSHRTUBB4ATUBBTUBA3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116041153-B Direct cross coupling method of aryl thioether and aryl bromine 南京工业大学 2024-05-24 CN claimed
CN-116041153-A Direct cross coupling method of aryl thioether and aryl bromine 南京工业大学 2023-05-02 CN claimed
CN-105939995-A Synthesis of vortioxetine via (2-(piperazine-1 -yl)phenvl)lithium intermediates 斯洛文尼亚莱柯制药股份有限公司 2016-09-14 CN claimed
US-7741240-B2 Transition metal compounds for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-06-22 US claimed
EP-1753773-A1 TRANSITION METAL COMPOUNDS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION ExxonMobil Chemical Patents Inc. (US) 2007-02-21 EP claimed
WO-2005118605-A1 TRANSITION METAL COMPOUNDS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS, INC. (US) 2005-12-15 WO claimed
WO-2001085825-A2 METHOD OF POLYCARBONATE PREPARATION GENERAL ELECTRIC COMPANY (US) 2001-11-15 WO claimed
WO-2024126567-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2024-06-20 WO disclosed
CN-116041153-B Direct cross coupling method of aryl thioether and aryl bromine 南京工业大学 2024-05-24 CN disclosed
EP-4306614-A1 LIQUID-CRYSTALLINE MEDIUM Merck Patent GmbH (DE) 2024-01-17 EP disclosed
WO-2023198671-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2023-10-19 WO disclosed
WO-2023198673-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2023-10-19 WO disclosed
WO-2023198669-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2023-10-19 WO disclosed
EP-0135938-B1 PROCESS FOR PRODUCING AROMATIC POLYETHER KETONES AND POLYTHIOETHER KETONES MITSUBISHI KASEI CORPORATION (JP) 1988-06-22 EP disclosed
EP-0269392-A2 Improved thermoset compositions comprising aromatic cyanate esters and allyl ethers of bisphenols AMOCO CORPORATION (US) 1988-06-01 EP disclosed
EP-0266986-A2 Resin compositions comprising aromatic cyanate esters, polyepoxide compounds and thermplastic polymers and prepreg made therefrom AMOCO CORPORATION (US) 1988-05-11 EP disclosed
US-4707536-A Catalytic preparation of aromatic polyketone from phosgene and aromatic ether or sulfide MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1987-11-17 US disclosed
US-4661581-A REACTING AROMATIC ETHERS OR THIOETHERS WITH PHOSGENE IN AN APROTIC SOLVENT WITH GROUP 3 METAL HALIDE CATALYST MITSUBISHI CHEMICAL INDUSTRIES, LTD. (JP) 1987-04-28 US disclosed
EP-0135938-A2 Process for producing aromatic polyether ketones and polythioether ketones MITSUBISHI KASEI CORPORATION (JP) 1985-04-03 EP disclosed
US-4044056-A Symmetrical aromatic sulfide production PHILLIPS PETROLEUM COMPANY (US) 1977-08-23 US disclosed