SCHEMBL197196

SCHEMBL197196

Cn1cccc1-c1cccn1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 1/20 0.60
ALDH1A1 P00352 5/20 0.52
CYP2A6 P11509 1/20 0.52
CYP2A13 Q16696 1/20 0.52
KDM4E B2RXH2 4/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 2/20 0.46
TRIM24 O15164 1/20 0.46
TRIM33 Q9UPN9 1/20 0.46
NPC1 O15118 2/20 0.45
RECQL P46063 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
INMT O95050 1/20 0.42
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 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
SCHEMBL22824362 0.84 PCSK9 (0.48) PCSK9ALDH1A1CYP2A6CYP2A13KDM4E
SCHEMBL6444709 0.81 PCSK9 (0.73) PCSK9ALDH1A1CYP2A6CYP2A13KDM4E
SCHEMBL31729550 0.81 PCSK9 (0.46) PCSK9ALDH1A1CYP2A6CYP2A13KDM4E
SCHEMBL439225 0.77 KDM4E (0.49) PCSK9ALDH1A1CYP2A6CYP2A13KDM4E
SCHEMBL1026027 0.75 PCSK9 (0.50) PCSK9ALDH1A1CYP2A6CYP2A13KDM4E
SCHEMBL11357896 0.75 PCSK9 (0.50) PCSK9ALDH1A1CYP2A6CYP2A13KDM4E
SCHEMBL3188837 0.75 PCSK9 (0.50) PCSK9ALDH1A1CYP2A6CYP2A13KDM4E
SCHEMBL19007341 0.75 ALDH1A1 (0.48) PCSK9ALDH1A1CYP2A6CYP2A13KDM4E
SCHEMBL6067970 0.75 ALDH1A1 (0.44) PCSK9ALDH1A1CYP2A6CYP2A13KDM4E
SCHEMBL11359663 0.75 PCSK9 (0.50) PCSK9ALDH1A1CYP2A6CYP2A13KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10315975-B2 Method for the hydroformylation of 2-substituted butadienes and the production of secondary products thereof, especially ambrox BASF SE (DE) 2019-06-11 US disclosed
US-10175557-B2 Optical wavelength conversion element containing ionic liquid, and article equipped with said optical wavelength conversion element NIPPON KAYAKU KABUSHIKIKAISHA (JP) 2019-01-08 US disclosed
US-20170084758-A1 Optical Wavelength Conversion Element Containing Ionic Liquid, And Article Equipped With Said Optical Wavelength Conversion Element NIPPON KAYAKU KABUSHIKIKAISHA (JP) 2017-03-23 US disclosed
EP-2390241-B1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2014-10-01 EP disclosed
US-8598349-B2 Method for manufacturing conjugated aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-12-03 US disclosed
US-8293905-B2 Bipyridine compound, transition metal complex, and method for production of conjugated aromatic compound using the transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-23 US disclosed
US-8088883-B2 Transition metal complex and process for producing conjugated aromatic compound using the transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-03 US disclosed
EP-2390241-A1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND Sumitomo Chemical Company, Limited (JP) 2011-11-30 EP disclosed
US-20110275859-A1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED 2011-11-10 US disclosed
US-20110256790-A1 THERMAL INSULATION CONTAINING SUPPLEMENTAL INFRARED RADIATION ABSORBING MATERIAL SAINT-GOBAIN ISOVER (FR) 2011-10-20 US disclosed
US-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED 2011-02-24 US disclosed
US-20100292481-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED 2010-11-18 US disclosed
EP-2233459-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-09-29 EP disclosed
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-22 US disclosed
EP-2192124-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND WITH THE TRANSITION METAL COMPLEX Sumitomo Chemical Company, Limited (JP) 2010-06-02 EP disclosed
EP-2172470-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX Sumitomo Chemical Company, Limited (JP) 2010-04-07 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 (5 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-10315975-B2 Method for the hydroformylation of 2-substituted butadienes and the production of secondary products thereof, especially ambrox ALOX12, ALOX15, ALOX5 PCSK9 1536/4885ALDH1A1 683/4885CYP2A6 200/4885
US-20110275859-A1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND C9, H1-10, CYP1A1 PCSK9 1405/4885ALDH1A1 46/4885CYP2A6 182/4885
US-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP1M1 PCSK9 3665/4885ALDH1A1 974/4885CYP2A6 878/4885
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP2M1 PCSK9 3372/4885ALDH1A1 1092/4885CYP2A6 490/4885
US-20100292481-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND TYR, PAH, AHR PCSK9 1358/4885ALDH1A1 816/4885CYP2A6 1022/4885

“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.