SCHEMBL3058003

SCHEMBL3058003

CCC(C)c1[c]c2c(cc1)-c1ccccc1C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP17A1 P05093 1/20 0.32
TSHR P16473 2/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PNMT P11086 1/20 0.31
MAOA P21397 2/20 0.31

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
SCHEMBL617020 0.84 CYP1A2 (0.37) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2973834 0.84 CYP1A2 (0.39) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3059965 0.82 USP2 (0.36) HSD17B10ALDH1A1HPGDCYP17A1
SCHEMBL2965771 0.81 CYP1A2 (0.41) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2957703 0.78 CYP1A2 (0.37) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2975201 0.78 CYP1A2 (0.37) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3683425 0.75 TSHR (0.36) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4721786 0.75 CYP3A4 (0.35) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL218357 0.74 ALDH1A1 (0.37) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4723526 0.74 NPC1 (0.35) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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 78 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-20150105237-A1 CATALYTIC COMPONENT FOR TRIMERIZATION AND TRIMERIZATION CATALYST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-04-16 US disclosed
US-20150105572-A1 TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-04-16 US disclosed
EP-1038918-A1 THERMOPLASTIC OLEFIN ELASTOMER COMPOSITION Sumitomo Chemical Company, Limited (JP) 2000-09-27 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
US-6066704-A Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-05-23 US 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
CN-1205340-A Propylene coplymer SUMITOMO CHEMICAL CO (JP) 1999-01-20 CN disclosed
EP-0852230-A1 TRANSITION METAL COMPLEXES, CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMERS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-07-08 EP 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 CYP1A2 102/4885CYP3A4 80/4885CYP2D6 326/4885
US-20150105572-A1 TRANSITION METAL COMPLEX AP1M1, AP3M1, EMC1 CYP1A2 419/4885CYP3A4 200/4885CYP2D6 982/4885
US-20150105237-A1 CATALYTIC COMPONENT FOR TRIMERIZATION AND TRIMERIZATION CATALYST AP1M1, AMY1A, AP3M1 CYP1A2 159/4885CYP3A4 77/4885CYP2D6 560/4885

“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.