SCHEMBL896031

SCHEMBL896031

Cc1cc(C(C)(C)C)cc(C)c1SSc1c(C)cc(C(C)(C)C)cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
HTR1D P28221 6/20 0.43
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
HTR1B P28222 4/20 0.39
TSHR P16473 4/20 0.38
ALDH1A1 P00352 4/20 0.37
ALOX15 P16050 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 3/20 0.33
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.33
PKM P14618 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
RXRB P28702 1/20 0.33
HTR1A P08908 2/20 0.32
ADRA2A P08913 2/20 0.32

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
SCHEMBL2018161 0.83 POLB (0.50) POLBHTR1DGABRA1GABRB2HTR1B
SCHEMBL2022116 0.79 POLB (0.46) POLBHTR1DGABRA1GABRB2HTR1B
SCHEMBL12705758 0.79 POLB (0.46) POLBHTR1DGABRA1GABRB2HTR1B
SCHEMBL14629628 0.79 POLB (0.46) POLBHTR1DGABRA1GABRB2HTR1B
SCHEMBL3178010 0.76 GABRA1 (0.40) POLBHTR1DGABRA1GABRB2TSHR
SCHEMBL11613649 0.75 ALDH1A1 (0.46) POLBHTR1DGABRA1GABRB2HTR1B
SCHEMBL24344713 0.74 POLB (0.41) POLBHTR1DGABRA1GABRB2HTR1B
SCHEMBL8664743 0.73 POLB (0.57) POLBHTR1DGABRA1GABRB2HTR1B
Dimesityl Disulfide SCHEMBL896126 0.73 RAPGEF4 (0.43) TSHRALDH1A1TDP1HSD17B10MAPT
SCHEMBL93161 0.71 GABRA1 (0.69) POLBHTR1DGABRA1GABRB2HTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119552517-A High-temperature-storage-resistant rubber composite modified asphalt and preparation method thereof 中石油克拉玛依石化有限责任公司 2025-03-04 CN claimed
US-20120083627-A1 Method of Synthesis of Arylsulfur Trifluorides and Use as in situ Deoxofluorination Reagent FLUOROTECH, LLC (US) 2012-04-05 US claimed
CN-119552517-A High-temperature-storage-resistant rubber composite modified asphalt and preparation method thereof 中石油克拉玛依石化有限责任公司 2025-03-04 CN disclosed
CN-112020485-B Process for producing difluoromethylene compound 大金工业株式会社 2023-11-14 CN disclosed
US-11810721-B2 Multilayer ceramic electronic component SAMSUNG ELECTRO-MECHANICS CO., LTD. (KR) 2023-11-07 US disclosed
US-20220254571-A1 MULTILAYER CERAMIC ELECTRONIC COMPONENT SAMSUNG ELECTRO-MECHANICS CO., LTD. (KR) 2022-08-11 US disclosed
CN-114864284-A Multilayer ceramic electronic component 三星电机株式会社 2022-08-05 CN disclosed
US-11377407-B2 Method for producing difluoromethylene compound DAIKIN INDUSTRIES, LTD. (JP) 2022-07-05 US disclosed
US-20210363077-A1 METHOD FOR PRODUCING DIFLUOROMETHYLENE COMPOUND DAIKIN INDUSTRIES, LTD. (JP) 2021-11-25 US disclosed
US-20210163408-A1 METHOD FOR PREPARING A POLYFLUORINATED COMPOUND ETH ZURICH (CH) 2021-06-03 US disclosed
CN-112689623-A Process for preparing polyfluoro compounds 瑞士苏黎世联邦理工学院 2021-04-20 CN disclosed
US-20080039660-A1 E.g., Bis(2,6-dimethyl-3-chloro-4-tert-butylphenyl)disulfide and Bis(2,6-dimethyl-3,5-dichloro-4-tert-butylphenyl)disulfide; high yields; can be handled and stored in a safe manner; cost effective IM&T RESEARCH, INC. (US) 2008-02-14 US disclosed
US-20080039660-A1 E.g., Bis(2,6-dimethyl-3-chloro-4-tert-butylphenyl)disulfide and Bis(2,6-dimethyl-3,5-dichloro-4-tert-butylphenyl)disulfide; high yields; can be handled and stored in a safe manner; cost effective IM&T RESEARCH, INC. (US) 2008-02-14 US disclosed
WO-2008013550-A1 SUBSTITUTED PHENYLSULFUR TRIFLUORIDE AND OTHER LIKE FLUORINATING AGENTS IM & T RESEARCH, INC. (US) 2008-01-31 WO disclosed
WO-2008013550-A1 SUBSTITUTED PHENYLSULFUR TRIFLUORIDE AND OTHER LIKE FLUORINATING AGENTS IM & T RESEARCH, INC. (US) 2008-01-31 WO disclosed
WO-2008014345-A2 SUBSTITUTED PHENYLSULFUR TRIFLUORIDE AND OTHER LIKE FLUORINATING AGENTS IM & T RESEARCH, INC. (US) 2008-01-31 WO disclosed
WO-2008014345-A2 SUBSTITUTED PHENYLSULFUR TRIFLUORIDE AND OTHER LIKE FLUORINATING AGENTS IM & T RESEARCH, INC. (US) 2008-01-31 WO disclosed
US-7265247-B1 E.g., 2,6-dimethyl-4-tert-butylphenylsulfur trifluoride and 4-chlorophenylsulfur trifluoride; especially for fluorinating target compounds that have one or more oxygen or oxygen-containing groups that are replaced by the introduction of one or more fluorine atoms. IM&T RESEARCH, INC. (US) 2007-09-04 US disclosed
US-7265247-B1 E.g., 2,6-dimethyl-4-tert-butylphenylsulfur trifluoride and 4-chlorophenylsulfur trifluoride; especially for fluorinating target compounds that have one or more oxygen or oxygen-containing groups that are replaced by the introduction of one or more fluorine atoms. IM&T RESEARCH, INC. (US) 2007-09-04 US disclosed
US-7265247-B1 E.g., 2,6-dimethyl-4-tert-butylphenylsulfur trifluoride and 4-chlorophenylsulfur trifluoride; especially for fluorinating target compounds that have one or more oxygen or oxygen-containing groups that are replaced by the introduction of one or more fluorine atoms. IM&T RESEARCH, INC. (US) 2007-09-04 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 (3 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-20120083627-A1 Method of Synthesis of Arylsulfur Trifluorides and Use as in situ Deoxofluorination Reagent AFF2, BRD2, AFF4 POLB 2024/4885HTR1D 989/4885GABRA1 713/4885
US-20210163408-A1 METHOD FOR PREPARING A POLYFLUORINATED COMPOUND AFF4, AR, AFF2 POLB 3759/4885HTR1D 859/4885GABRA1 3258/4885
US-20080039660-A1 E.g., Bis(2,6-dimethyl-3-chloro-4-tert-butylphenyl)disulfide and Bis(2,6-dimethyl-3,5-dichloro-4-tert-butylphenyl)disulfide; high yields; can be handled and stored in a safe manner; cost effective TST, DDT, ESD POLB 2700/4885HTR1D 4235/4885GABRA1 2677/4885

“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.