SCHEMBL78643

SCHEMBL78643

COc1ccc(C(C)(C)C)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.64
MAPK1 P28482 3/20 0.62
ALDH1A1 P00352 3/20 0.62
LMNA P02545 2/20 0.62
TDP1 Q9NUW8 2/20 0.62
ALOX15 P16050 1/20 0.62
APEX1 P27695 1/20 0.62
RECQL P46063 1/20 0.62
HSD17B10 Q99714 1/20 0.62
CA1 P00915 3/20 0.61
CA2 P00918 3/20 0.61
CA9 Q16790 3/20 0.61
CA7 P43166 2/20 0.61
CA12 O43570 1/20 0.61
CA14 Q9ULX7 1/20 0.61
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
HPGD P15428 1/20 0.54
MEN1 O00255 1/20 0.53
EPHX2 P34913 1/20 0.53

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
SCHEMBL3665016 1.00 MAPT (0.64) MAPTMAPK1ALDH1A1LMNATDP1
Fluoride SCHEMBL31538992 0.97 MAPT (0.62) MAPTMAPK1ALDH1A1LMNATDP1
SCHEMBL2608411 0.93 MAPT (0.58) MAPTMAPK1ALDH1A1LMNATDP1
SCHEMBL9729672 0.93 ALDH1A1 (0.65) MAPTMAPK1ALDH1A1LMNATDP1
SCHEMBL16281499 0.93 MAPT (0.58) MAPTMAPK1ALDH1A1LMNATDP1
SCHEMBL1542267 0.91 MAPT (0.61) MAPTMAPK1ALDH1A1LMNATDP1
SCHEMBL6889053 0.89 ALDH1A1 (0.73) MAPTMAPK1ALDH1A1LMNATDP1
SCHEMBL5608912 0.87 MAPT (0.71) MAPTMAPK1ALDH1A1LMNATDP1
SCHEMBL5285127 0.87 ALDH1A1 (0.57) MAPTMAPK1ALDH1A1LMNATDP1
SCHEMBL30445249 0.87 MAPT (0.53) MAPTMAPK1ALDH1A1LMNATDP1

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

Appears in 3203 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115420830-B GC-MS method for quantitatively detecting volatile components of golden bell oral liquid 山东宏济堂制药集团股份有限公司 2023-06-23 CN claimed
CN-115420830-A GC-MS method for quantitatively detecting volatile components of golden scallop oral liquid 山东宏济堂制药集团股份有限公司 2022-12-02 CN claimed
US-11248138-B2 Printing ink formulations, preparation methods and uses thereof GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2022-02-15 US 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
EP-3546532-A1 PRINTING INK COMPOSITION, PREPARATION METHOD THEREFOR, AND USES THEREOF Guangzhou Chinaray Optoelectronic Materials Ltd. (CN) 2019-10-02 EP claimed
US-20190276696-A1 FORMULATIONS FOR PRINTED ELECTRONIC DEVICES, PREPARATION METHODS AND USES THEREOF GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2019-09-12 US claimed
CN-109790407-A Printing ink composition and its preparation method and application 广州华睿光电材料有限公司 2019-05-21 CN claimed
CN-109790406-A Composition and its preparation method and application for printed electronic device 广州华睿光电材料有限公司 2019-05-21 CN claimed
US-20180366653-A1 D-A TYPE COMPOUND AND APPLICATION THEREOF GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2018-12-20 US claimed
US-20180354931-A1 SPIROCYCLIC DERIVATIVE, AND POLYMER, MIXTURE, FORMULATION AND ORGANIC ELECTRONIC DEVICE COMPRISING THE SAME GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2018-12-13 US claimed
EP-1482931-A2 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE Transtech Pharma, Inc. (US) 2004-12-08 EP claimed
US-20040082542-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents VTV THERAPEUTICS LLC 2004-04-29 US claimed
WO-2003075921-A2 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE TRANSTECH PHARMA, INC. (US) 2003-09-18 WO claimed
US-5777168-A Process for producing N-alkyl-dinitroalkylanilines SRM CHEMICAL, LTD. CO. (US) 1998-07-07 US claimed
US-5689006-A Process for producing n-alkyl-dinitroalkylanilines SRM CHEMICAL, LTD. CO. (US) 1997-11-18 US claimed
US-5663441-A Production of mono-N-alkyl-dinitroalkylanilines and N-alkyl-dinitroaniline derivatives SRM CHEMICAL, LTD. CO. (US) 1997-09-02 US claimed
WO-1997001527-A1 PRODUCTION OF MONO-N-ALKYL-DINITROALKYLANILINES AND N-ALKYL-DINITROANILINE DERIVATIVES SYNTECH LTD. CO. (US) 1997-01-16 WO claimed
US-5554588-A IN WHICH AT LEAST HALF COMPRISES ETHERS, AROMATIC METHYL KETONES, ALCOHOLS, ESTERS AND SALICYLATES; DEODORANTS AND ACCEPTABLE FRAGRANCE LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1996-09-10 US claimed
WO-1993013089-A1 MACROCYCLIC POLYETHER CARBOXYLIC ACIDS URBAN FRANK J (US) 1993-07-08 WO claimed
EP-0192492-B1 PEPTIDES CONTAINING AN ALIPHATIC-AROMATIC KETONE SIDE CHAIN THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1992-01-02 EP claimed