SCHEMBL4316686

SCHEMBL4316686

CC(C)Cc1cccc(-c2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.50
SLC6A2 P23975 2/20 0.48
TAAR1 Q96RJ0 2/20 0.48
SIGMAR1 Q99720 2/20 0.48
MAOA P21397 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
CYP2A6 P11509 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
MME P08473 1/20 0.47
ACE P12821 1/20 0.47
CPA1 P15085 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
PTGES O14684 1/20 0.46
PTGS2 P35354 1/20 0.46
ERAP2 Q6P179 1/20 0.46
ERAP1 Q9NZ08 1/20 0.46
LNPEP Q9UIQ6 1/20 0.46
HTR1A P08908 1/20 0.46

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
SCHEMBL28161128 0.94 CTSS (0.48) AGXTSLC6A2TAAR1SIGMAR1MAOA
SCHEMBL8636391 0.90 MEN1 (0.46) AGXTSLC6A2TAAR1SIGMAR1MAOA
SCHEMBL27472828 0.86 TAAR1 (0.69) AGXTSLC6A2TAAR1SIGMAR1MAOA
SCHEMBL1513819 0.85 MMP3 (0.56) SLC6A2TAAR1PTGS2GRIA2
SCHEMBL13533000 0.85 AGXT (0.56) AGXTTAAR1PTGS2CTSSCTSK
SCHEMBL19337581 0.84 TAAR1 (0.67) AGXTSLC6A2TAAR1SIGMAR1MAOA
SCHEMBL27519886 0.84 TRPA1 (0.50) AGXTSLC6A2TAAR1SIGMAR1MAOA
SCHEMBL9493272 0.84 MME (0.48) AGXTSLC6A2TAAR1SIGMAR1MAOA
SCHEMBL18100203 0.84 MRGPRX4 (0.58) AGXT
SCHEMBL19413547 0.83 CTSS (0.46) SLC6A2TAAR1SIGMAR1MAOASLC6A4

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109553705-A A kind of catalytic component and preparation method thereof for olefinic polymerization 中国石油化工股份有限公司 2019-04-02 CN disclosed
CN-109553712-A A kind of catalytic component and its catalyst for olefinic polymerization 中国石油化工股份有限公司 2019-04-02 CN disclosed
US-7563784-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-07-21 US disclosed
CN-1852887-A Process for producing optically active cyclopropane compound and asymmetric copper complex for use in the same SUMITOMO CHEMICAL CO (JP) 2006-10-25 CN disclosed
US-20060194787-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2006-08-31 US disclosed
US-7071184-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2006-07-04 US disclosed
EP-1307203-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2005-08-17 EP disclosed
US-20040044201-A1 Protease inhibitors GLAXOSMITHKLINE LLC 2004-03-04 US disclosed
EP-1307203-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-05-07 EP disclosed
WO-2001070232-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-27 WO disclosed
EP-0819667-A2 Processes for production of mono- and/or di- sec. butylbiphenyl and products obtainable therefrom KOCH INDUSTRIES, INC. (US) 1998-01-21 EP 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 (2 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-20060194787-A1 Protease inhibitors CTSK, CTSL, CTSZ AGXT 495/4885SLC6A2 4681/4885TAAR1 4816/4885
US-20040044201-A1 Protease inhibitors CTSK, CTSE, CTSZ AGXT 374/4885SLC6A2 4577/4885TAAR1 4767/4885

“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.