SCHEMBL3684071

SCHEMBL3684071

CCCCCCCCCCC1=Cc2ccccc2[CH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 2/20 0.46
KCNH2 Q12809 3/20 0.41
PTPN1 P18031 1/20 0.40
GPR3 P46089 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
SETD7 Q8WTS6 1/20 0.38
LPL P06858 1/20 0.38
CNR1 P21554 1/20 0.37
ESR1 P03372 2/20 0.37
ADRA2A P08913 2/20 0.37
ADORA3 P0DMS8 2/20 0.37
TACR2 P21452 2/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
SHBG P04278 1/20 0.37

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
SCHEMBL216968 1.00 LIPG (0.46) LIPGKCNH2PTPN1GPR3NR1H2
SCHEMBL218346 1.00 LIPG (0.46) LIPGKCNH2PTPN1GPR3NR1H2
SCHEMBL3681427 1.00 LIPG (0.46) LIPGKCNH2PTPN1GPR3NR1H2
SCHEMBL3685992 0.98 LIPG (0.43) LIPGKCNH2PTPN1GPR3NR1H2
SCHEMBL219214 0.92 LIPG (0.36) LIPGKCNH2PTPN1SETD7
SCHEMBL27619013 0.90 LIPG (0.35) LIPGKCNH2PTPN1SETD7
SCHEMBL27948616 0.85 LIPG (0.33) LIPGSETD7
SCHEMBL27948720 0.85 LIPG (0.33) LIPGSETD7
SCHEMBL27933073 0.85 LIPG (0.33) LIPGSETD7
SCHEMBL27933157 0.85 LIPG (0.33) LIPGSETD7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140219911-A1 DIHYDROXYBIPYRIDINE COMPLEXES OF RUTHENIUM AND IRIDIUM FOR WATER OXIDATION AND HYDROGENATION THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2014-08-07 US claimed
WO-2013033018-A2 DIHYDROXYBIPYRIDINE COMPLEXES OF RUTHENIUM AND IRIDIUM FOR WATER OXIDATION AND HYDROGENATION DREXEL UNIVERSITY (US) 2013-03-07 WO claimed
EP-2752401-B1 PRODUCTION METHOD FOR 2-ALKENYLAMINE COMPOUND SHOWA DENKO KK (JP) 2018-10-10 EP disclosed
US-9919300-B2 1-hexene production process SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-03-20 US disclosed
EP-2484685-B1 TRANSITION METAL COMPLEX, PREPARATION METHOD FOR SAID TRANSITION METAL COMPLEX, TRIMERIZATION CATALYST, PREPARATION METHOD FOR 1-HEXENE, PREPARATION METHOD FOR ETHYLENE POLYMER, SUBSTITUTED CYCLOPENTADIENE COMPOUND, AND PREPARATION METHOD FOR SAID SUBSTITUTED CYCLOPENTADIENE COMPOUND SUMITOMO CHEMICAL CO (JP) 2017-11-01 EP disclosed
US-20170036200-A1 1-HEXENE PRODUCTION PROCESS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-09 US disclosed
US-9527066-B2 Dihydroxybipyridine complexes of ruthenium and iridium for water oxidation and hydrogenation THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2016-12-27 US disclosed
US-9440907-B2 Production method for 2-alkenylamine compound SHOWA DENKO K.K. (JP) 2016-09-13 US disclosed
US-9346740-B2 Production method for 2-alkenylamine compound SHOWA DENKO K.K. (JP) 2016-05-24 US disclosed
US-20150105572-A1 TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-04-16 US disclosed
US-20150105237-A1 CATALYTIC COMPONENT FOR TRIMERIZATION AND TRIMERIZATION CATALYST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-04-16 US disclosed
EP-1031584-A1 PROPYLENIC COPOLYMER AND THERMOPLASTIC RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2000-08-30 EP disclosed
EP-1002808-A1 COPOLYMER, PROCESS FOR PRODUCING THE SAME, AND MOLDED ARTICLE COMPRISING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-05-24 EP disclosed
EP-0987287-A1 THERMOPLASTIC ELASTOMER COMPOSITION POWDER, POWDER MOLDING PROCESS WITH THE SAME, AND MOLDINGS Sumitomo Chemical Company, Limited (JP) 2000-03-22 EP disclosed
EP-0970976-A1 Copolymer, process for production thereof, and molded article thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-01-12 EP disclosed
EP-0970963-A2 Transition metal compound, olefin polymerization catalyst component, olefin polymerization catalyst and process for producing olefin polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-01-12 EP disclosed
EP-0963990-A1 PROCESS FOR PRODUCING CYCLOPENTADIENYL METAL SALTS AND PROCESS FOR PRODUCING CYCLOPENTADIENE DERIVATIVES BY UTILIZING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-12-15 EP disclosed
EP-0908435-A1 Method for purifying transition metal compound and method for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-04-14 EP disclosed
CN-1205340-A Propylene coplymer SUMITOMO CHEMICAL CO (JP) 1999-01-20 CN disclosed
EP-0842939-A1 TRANSITION METAL COMPLEX, PROCESS FOR THE PREPARATION THEREOF, POLYMERIZATION CATALYST FOR OLEFINS CONTAINING THE COMPLEX, AND PROCESS FOR PRODUCING OLEFIN POLYMERS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-05-20 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 (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-20170036200-A1 1-HEXENE PRODUCTION PROCESS AP1M1, HK1, CYC1 LIPG 3339/4885KCNH2 1395/4885PTPN1 3425/4885
US-20150105572-A1 TRANSITION METAL COMPLEX AP1M1, AP3M1, EMC1 LIPG 3502/4885KCNH2 1048/4885PTPN1 4208/4885
US-20150105237-A1 CATALYTIC COMPONENT FOR TRIMERIZATION AND TRIMERIZATION CATALYST AP1M1, AMY1A, AP3M1 LIPG 2211/4885KCNH2 2478/4885PTPN1 3158/4885

“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.