SCHEMBL915884

SCHEMBL915884

CC(C)c1cc(C(C)C)c(SSc2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.48
GABRB2 P47870 2/20 0.48
FABP4 P15090 3/20 0.46
FABP3 P05413 2/20 0.46
FABP5 Q01469 1/20 0.45
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
ALOX12 P18054 1/20 0.32
HTT P42858 1/20 0.32
HIF1A Q16665 1/20 0.32
GABRB1 P18505 3/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL31502507 0.84 GABRA1 (0.48) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL8884997 0.82 GABRA1 (0.46) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL21415476 0.80 GABRA1 (0.45) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL6063410 0.80 GABRA1 (0.45) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL28111265 0.80 GABRA1 (0.45) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL8884992 0.80 GABRA1 (0.45) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL17125433 0.80 GABRA1 (0.50) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL7064227 0.78 GABRA1 (0.43) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL3192221 0.78 GABRA1 (0.43) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL3177258 0.77 GABRA1 (0.42) GABRA1GABRB2FABP4FABP3FABP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119119005-A Synthesis method of deuterated marked GLP-1 key intermediate 浙江工业大学 2024-12-13 CN claimed
CN-113651681-B Method for preparing aldehyde/ketone by breaking C-C bond 中山大学 2022-07-22 CN claimed
CN-113651681-A Method for preparing aldehyde/ketone by breaking C-C bond 中山大学 2021-11-16 CN claimed
CN-119119005-A Synthesis method of deuterated marked GLP-1 key intermediate 浙江工业大学 2024-12-13 CN disclosed
CN-113651681-B Method for preparing aldehyde/ketone by breaking C-C bond 中山大学 2022-07-22 CN disclosed
CN-113651681-A Method for preparing aldehyde/ketone by breaking C-C bond 中山大学 2021-11-16 CN disclosed
EP-2133357-B1 LIVING RADICAL POLYMERIZATION PROMOTER OTSUKA CHEMICAL CO LTD (JP) 2016-11-16 EP disclosed
US-9365471-B2 Substituted phenylsulfur trifluoride and other like fluorinating agents UBE INDUSTRIES, LTD. (JP) 2016-06-14 US disclosed
US-9365471-B2 Substituted phenylsulfur trifluoride and other like fluorinating agents UBE INDUSTRIES, LTD. (JP) 2016-06-14 US disclosed
US-9365471-B2 Substituted phenylsulfur trifluoride and other like fluorinating agents UBE INDUSTRIES, LTD. (JP) 2016-06-14 US disclosed
EP-2046735-B1 SUBSTITUTED PHENYLSULFUR TRIFLUORIDES AS FLUORINATING AGENTS UBE INDUSTRIES (JP) 2015-05-06 EP 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-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
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
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 (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-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 GABRA1 2677/4885GABRB2 1813/4885FABP4 2351/4885

“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.