SCHEMBL924516

SCHEMBL924516

CCCCCCCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.57
ESR1 P03372 2/20 0.57
ADRA2A P08913 2/20 0.57
ADORA3 P0DMS8 2/20 0.57
TACR2 P21452 2/20 0.57
SLC6A2 P23975 2/20 0.57
SLC6A4 P31645 2/20 0.57
SLC6A3 Q01959 2/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
SHBG P04278 1/20 0.57
TP53 P04637 1/20 0.57
CYP3A4 P08684 1/20 0.57
HSPD1 P10809 1/20 0.57
ADRB3 P13945 1/20 0.57
HTR2C P28335 1/20 0.57
HSPE1 P61604 1/20 0.57
HIF1A Q16665 1/20 0.57
TST Q16762 1/20 0.57

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
SCHEMBL2615716 1.00 FAAH (0.57) FAAHESR1ADRA2AADORA3TACR2
SCHEMBL2093367 1.00 FAAH (0.57) FAAHESR1ADRA2AADORA3TACR2
SCHEMBL13798097 1.00 FAAH (0.57) FAAHESR1ADRA2AADORA3TACR2
SCHEMBL9347785 0.98 FAAH (0.56) FAAHESR1ADRA2AADORA3TACR2
SCHEMBL9349090 0.98 FAAH (0.56) FAAHESR1ADRA2AADORA3TACR2
SCHEMBL9349203 0.98 FAAH (0.56) FAAHESR1ADRA2AADORA3TACR2
SCHEMBL2089930 0.98 TAAR1 (0.55) FAAHESR1ADRA2AADORA3TACR2
SCHEMBL9352104 0.96 TAAR1 (0.53) FAAHESR1ADRA2AADORA3TACR2
SCHEMBL10382742 0.94 MAOB (0.56) FAAHESR1ADRA2AADORA3TACR2
SCHEMBL10381425 0.94 MAOB (0.56) FAAHESR1ADRA2AADORA3TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11174275-B2 Methods for the preparation of cyclopentaoxasilinones and cyclopentaoxaborininones and their use DREXEL UNIVERSITY (US) 2021-11-16 US disclosed
US-20210054003-A1 Methods for the preparation of cyclopentaoxasilinones and cyclopentaoxaborininones and their use DREXEL UNIVERSITY 2021-02-25 US disclosed
US-20170273985-A1 TRICYCLIC DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-09-28 US disclosed
US-9365471-B2 Substituted phenylsulfur trifluoride and other like fluorinating agents UBE INDUSTRIES, LTD. (JP) 2016-06-14 US disclosed
US-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 US disclosed
EP-2046735-B1 SUBSTITUTED PHENYLSULFUR TRIFLUORIDES AS FLUORINATING AGENTS UBE INDUSTRIES (JP) 2015-05-06 EP disclosed
US-20140235898-A1 Substituted Phenylsulfur Trifluoride and Other Like Fluorinating Agents UBE INDUSTRIES, LTD. (JP) 2014-08-21 US disclosed
US-20140186378-A1 GLYCOLIPIDS AND ANALOGUES THEREOF AS ANTIGENS FOR NKT CELLS THE SCRIPPS RESEARCH INSTITUTE (US) 2014-07-03 US disclosed
US-20140186378-A1 GLYCOLIPIDS AND ANALOGUES THEREOF AS ANTIGENS FOR NKT CELLS THE SCRIPPS RESEARCH INSTITUTE (US) 2014-07-03 US disclosed
US-8710270-B2 Substituted phenylsulfur trifluoride and other like fluorinating agents UBE INDUSTRIES, LTD. (JP) 2014-04-29 US disclosed
US-7501543-B2 Bis[2,6-bis(methoxymethyl)phenyl]disulfide; intermediates IM&T RESEARCH, INC. (US) 2009-03-10 US disclosed
WO-2008128062-A1 GLYCOLIPIDS AND ANALOGUES THEREOF AS ANTIGENS FOR NK T CELLS THE ROCKEFELLER UNIVERSITY (US) 2008-10-23 WO disclosed
US-20080221364-A1 Bis[2,6-bis(methoxymethyl)phenyl]disulfide; intermediates IM&T RESEARCH, INC. (US) 2008-09-11 US disclosed
US-7381846-B2 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) 2008-06-03 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
US-20070238871-A1 Glycolipids And Analogues Thereof As Antigens For NKT Cells THE ROCKEFELLER UNIVERSITY (US) 2007-10-11 US disclosed
US-20070238871-A1 Glycolipids And Analogues Thereof As Antigens For NKT Cells THE ROCKEFELLER UNIVERSITY (US) 2007-10-11 US disclosed
US-7238832-B2 Production method of a coupling compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-07-03 US disclosed
US-7238832-B2 Production method of a coupling compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-07-03 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 (8 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-20140235898-A1 Substituted Phenylsulfur Trifluoride and Other Like Fluorinating Agents PFAS, FRS2, FBL FAAH 996/4885ESR1 4343/4885ADRA2A 3883/4885
US-20080221364-A1 Bis[2,6-bis(methoxymethyl)phenyl]disulfide; intermediates PFAS, STS, SCLY FAAH 2258/4885ESR1 3010/4885ADRA2A 4009/4885
US-11174275-B2 Methods for the preparation of cyclopentaoxasilinones and cyclopentaoxaborininones and their use HSD17B7, CYP4A22, PPOX FAAH 3839/4885ESR1 332/4885ADRA2A 2947/4885
US-20170273985-A1 TRICYCLIC DERIVATIVE PDE3A, PDE2A, PDE5A FAAH 1429/4885ESR1 4698/4885ADRA2A 908/4885
US-20210054003-A1 Methods for the preparation of cyclopentaoxasilinones and cyclopentaoxaborininones and their use HSD17B7, CYP4A22, PPOX FAAH 3839/4885ESR1 332/4885ADRA2A 2947/4885
US-20140186378-A1 GLYCOLIPIDS AND ANALOGUES THEREOF AS ANTIGENS FOR NKT CELLS CD69, KLRK1, PBK FAAH 1204/4885ESR1 4675/4885ADRA2A 2910/4885
US-20070238871-A1 Glycolipids And Analogues Thereof As Antigens For NKT Cells CD69, KLRK1, PBK FAAH 1204/4885ESR1 4675/4885ADRA2A 2910/4885
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 FAAH 1848/4885ESR1 1328/4885ADRA2A 4429/4885

“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.