SCHEMBL3199792

SCHEMBL3199792

Clc1c(C2OCCO2)ccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.47
CYP1A2 P05177 1/20 0.41
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 2/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
KDM1A O60341 1/20 0.37
AR P10275 1/20 0.36
HPRT1 P00492 1/20 0.35
SLC6A4 P31645 3/20 0.35
LMNA P02545 3/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
PAX8 Q06710 1/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A3 Q01959 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 2/20 0.34

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
SCHEMBL694466 0.81 KDM1A (0.50) ALDH1A1HSD17B10NPC1RAB9AKDM1A
SCHEMBL4259594 0.80 CYP2A6 (0.48) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR
SCHEMBL29117514 0.79 KDM1A (0.48) ALDH1A1HSD17B10NPC1RAB9AKDM1A
SCHEMBL3204473 0.79 PLA2G6 (0.38) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR
SCHEMBL3214031 0.79 POLB (0.44) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR
SCHEMBL18288005 0.75 RAB9A (0.40) ALDH1A1NPC1RAB9ASLC6A4KDM4E
SCHEMBL30439042 0.75 ALDH1A1 (0.38) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR
SCHEMBL5329929 0.74 KDM1A (0.47) ALDH1A1HSD17B10NPC1RAB9AKDM1A
SCHEMBL5699414 0.69 KDM1A (0.50) ALDH1A1HSD17B10NPC1RAB9AKDM1A
SCHEMBL4719316 0.69 ALDH1A1 (0.37) CYP1A2ALDH1A1HSD17B10NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1817837-B Carbonyl compound and method for preparing the same SUMITOMO CHEMICAL CO 2010-06-16 CN disclosed
US-7732643-B2 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-08 US disclosed
US-7671226-B2 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-02 US disclosed
US-20100048933-A1 TRANSITION METAL COMPLEX, CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME HANAOKA HIDENORI 2010-02-25 US disclosed
EP-1426379-B1 TRANSITION METAL COMPLEX,CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME SUMITOMO CHEMICAL CO (JP) 2009-11-11 EP disclosed
US-20090054607-A1 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same HANAOKA HIDENORI 2009-02-26 US disclosed
US-7439379-B2 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same SUMITOMO CHEMICAL CO., LTD. (JP) 2008-10-21 US disclosed
CN-100357303-C Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer using the same SUMITOMO CHEMICAL CO (JP) 2007-12-26 CN disclosed
CN-1817837-A Substituted cyclopentadiene and method for producing the same SUMITOMO CHEMICAL CO (JP) 2006-08-16 CN disclosed
CN-1578783-A Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer using the same SUMITOMO CHEMICAL CO (JP) 2005-02-09 CN disclosed
US-20040242410-A1 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-12-02 US disclosed
EP-1426379-A1 TRANSITION METAL COMPLEX,CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME Sumitomo Chemical Company, Limited (JP) 2004-06-09 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-20090054607-A1 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same C1R, C1S, AP1M1 CYP2A6 721/4885CYP1A2 315/4885ALDH1A1 1229/4885
US-20100048933-A1 TRANSITION METAL COMPLEX, CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME C1R, C1S, AP1M1 CYP2A6 721/4885CYP1A2 315/4885ALDH1A1 1229/4885

“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.