SCHEMBL142899

SCHEMBL142899

COc1ccccc1C(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.57
CA1 P00915 3/20 0.57
CA7 P43166 2/20 0.57
CA9 Q16790 2/20 0.57
CA12 O43570 1/20 0.57
CA4 P22748 1/20 0.57
CA14 Q9ULX7 1/20 0.57
ALDH1A1 P00352 7/20 0.46
TDP1 Q9NUW8 3/20 0.46
TSHR P16473 2/20 0.46
TP53 P04637 2/20 0.46
ADRA2B P18089 1/20 0.46
PTGS1 P23219 1/20 0.46
ATM Q13315 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL29771456 1.00 CA2 (0.57) CA2CA1CA7CA9CA12
Phenol SCHEMBL28311364 0.88 ALDH1A1 (0.47) CA2CA1CA7CA9CA12
SCHEMBL12078473 0.88 HTR6 (0.46) CA2CA1CA7CA9CA12
SCHEMBL19468259 0.85 CA1 (0.57) CA2CA1CA7CA9CA12
SCHEMBL9326106 0.85 CA1 (0.57) CA2CA1CA7CA9CA12
SCHEMBL8784464 0.85 CA1 (0.57) CA2CA1CA7CA9CA12
SCHEMBL30948566 0.85 CA1 (0.57) CA2CA1CA7CA9CA12
SCHEMBL9229657 0.84 ALDH1A1 (0.43) CA2CA1CA7CA9CA12
SCHEMBL8611764 0.83 MAPT (0.42) CA2CA1CA7CA9CA12
SCHEMBL14349283 0.83 CA1 (0.55) CA2CA1CA7CA9CA12

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 1492 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115368218-B Method for preparing 4-diaryl methyl substituted phenol compound 湖南理工学院 2024-01-02 CN claimed
CN-112674178-B Preparation method of walnut direct drinking oil 武汉轻工大学 2023-02-10 CN claimed
CN-115350160-B Paliperidone sustained-release preparation and preparation method thereof 华润双鹤利民药业(济南)有限公司 2023-01-10 CN claimed
CN-112006981-B Long-acting compound anthelmintic liquid preparation and preparation method and application thereof 瑞普(天津)生物药业有限公司 2023-01-10 CN claimed
CN-115350160-A Paliperidone sustained-release preparation and preparation method thereof 华润双鹤利民药业(济南)有限公司 2022-11-18 CN claimed
EP-3203541-B1 ORGANIC SEMICONDUCTOR COMPOSITION FUJIFILM CORP (JP) 2022-07-06 EP claimed
CN-113116817-A Cefquinome injection and preparation method and application thereof 洛阳惠德生物工程有限公司 2021-07-16 CN claimed
CN-112674178-A Preparation method of walnut direct drinking oil 武汉轻工大学 2021-04-20 CN claimed
CN-110323380-A A kind of float type fire-type ferric phosphate lithium cell group system and its charging method 上海航天电源技术有限责任公司 2019-10-11 CN claimed
CN-106727575-B A kind of Lovastatin, fenofibrate and compound preparation of Acipimox and preparation method thereof 越洋医药开发(广州)有限公司 2019-08-27 CN claimed
US-20170125694-A1 ORGANIC SEMICONDUCTOR COMPOSITION AND ORGANIC SEMICONDUCTOR ELEMENT FUJIFILM CORPORATION (JP) 2017-05-04 US claimed
US-8426115-B2 Patterning process and resist composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-04-23 US claimed
US-20110033803-A1 PATTERNING PROCESS AND RESIST COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-02-10 US claimed
EP-1733450-B1 REDOX SHUTTLE FOR RECHARGEABLE LITHIUM-ION CELL 3M INNOVATIVE PROPERTIES CO (US) 2010-12-08 EP claimed
US-7811710-B2 Redox shuttle for rechargeable lithium-ion cell 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-10-12 US claimed
US-20100159392-A1 PATTERNING PROCESS AND RESIST COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-06-24 US claimed
CN-100361653-C Tiopronin soft capsule HUAYUAN MEDICINE SCIENCE AND T (CN) 2008-01-16 CN claimed
EP-1733450-A2 REDOX SHUTTLE FOR RECHARGEABLE LITHIUM-ION CELL 3M Innovative Properties Company (US) 2006-12-20 EP claimed
WO-2005099024-A2 REDOX SHUTTLE FOR RECHARGEABLE LITHIUM-ION CELL 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-10-20 WO claimed
US-20050221196-A1 Redox shuttle for rechargeable lithium-ion cell 3M INNOVATIVE PROPERTIES COMPANY 2005-10-06 US claimed