SCHEMBL48077

SCHEMBL48077

COc1cc2ccoc2cc1CCOCCN1CCC(O)C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
LTA4H P09960 1/20 0.35
APLNR P35414 1/20 0.35
CDC7 O00311 1/20 0.35
MCHR1 Q99705 2/20 0.35
KCNH2 Q12809 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
HRH3 Q9Y5N1 3/20 0.34
HRH2 P25021 2/20 0.34
HRH1 P35367 2/20 0.34
CD274 Q9NZQ7 3/20 0.34
PDCD1 Q15116 2/20 0.34
FGFR3 P22607 2/20 0.34
KDR P35968 2/20 0.34
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR4 P22455 1/20 0.34
PDCD1LG2 Q9BQ51 1/20 0.33

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
SCHEMBL48049 0.96 KDM4E (0.39) KDM4ELTA4HAPLNRCDC7MCHR1
Oxalic Acid SCHEMBL48042 0.95 KDM4E (0.38) KDM4EHRH3CD274PDCD1
Hydrochloric Acid SCHEMBL48060 0.95 KDM4E (0.41) KDM4ELTA4HAPLNRCDC7MCHR1
Oxalic Acid SCHEMBL1533107 0.91 KDM4E (0.41) KDM4ESIGMAR1HRH3
SCHEMBL48041 0.86 DRD2 (0.33) KDM4EHRH3
SCHEMBL1533108 0.82 KDM4E (0.37) KDM4EHRH3
SCHEMBL48801 0.82 LPAR5 (0.36) KDM4EKCNH2
SCHEMBL48084 0.80 SIGMAR1 (0.49) LTA4HMCHR1KCNH2SIGMAR1HRH3
SCHEMBL47829 0.78 LPAR5 (0.36) KDM4EKCNH2FGFR3KDRFGFR1
SCHEMBL48168 0.77 SIGMAR1 (0.53) LTA4HSIGMAR1HRH3HRH2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE43676-E1 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-09-18 US disclosed
US-RE43676-E1 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-09-18 US disclosed
US-RE43676-E1 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-09-18 US disclosed
US-8129535-B2 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-03-06 US disclosed
US-8129535-B2 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-03-06 US disclosed
US-8129535-B2 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-03-06 US disclosed
US-8067406-B2 Preventive/remedy for retinal nerve diseases containing alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2011-11-29 US disclosed
US-20110112066-A1 PREVENTIVE/REMEDY FOR RETINAL NERVE DISEASES CONTAINING ALKYL ETHER DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2011-05-12 US disclosed
US-7897594-B2 Preventive/remedy for retinal nerve diseases containing alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2011-03-01 US disclosed
US-20100075941-A1 PREVENTIVE/REMEDY FOR RETINAL NERVE DISEASES CONTAINING ALKYL ETHER DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-03-25 US disclosed
US-7468443-B2 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2008-12-23 US disclosed
US-7468443-B2 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2008-12-23 US disclosed
US-7468443-B2 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2008-12-23 US disclosed
EP-1437353-B1 ALKYL ETHER DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO LTD (JP) 2007-06-13 EP disclosed
US-20060205709-A1 Preventive/remedy for retinal nerve diseases containing alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2006-09-14 US disclosed
US-20060194781-A1 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2006-08-31 US disclosed
US-7087594-B2 central nervous system disorders; regenerating nervous systems TOYAMA CHEMICAL CO., LTD. (JP) 2006-08-08 US disclosed
EP-1614419-A1 PREVENTIVE/REMEDY FOR RETINAL NERVE DISEASES CONTAINING ALKYL ETHER DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2006-01-11 EP disclosed
US-20050070521-A1 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2005-03-31 US disclosed
EP-1437353-A1 ALKYL ETHER DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2004-07-14 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-20060205709-A1 Preventive/remedy for retinal nerve diseases containing alkyl ether derivatives or salts thereof RB1, ALDH1A2, NR2E3 KDM4E 2958/4885LTA4H 2227/4885APLNR 443/4885
US-20110112066-A1 PREVENTIVE/REMEDY FOR RETINAL NERVE DISEASES CONTAINING ALKYL ETHER DERIVATIVES OR SALTS THEREOF RB1, ALDH1A2, NR2E3 KDM4E 2958/4885LTA4H 2227/4885APLNR 443/4885
US-20060194781-A1 Alkyl ether derivatives or salts thereof AHNAK, NGF, PMP22 KDM4E 766/4885LTA4H 3413/4885APLNR 402/4885
US-20100075941-A1 PREVENTIVE/REMEDY FOR RETINAL NERVE DISEASES CONTAINING ALKYL ETHER DERIVATIVES OR SALTS THEREOF RB1, ALDH1A2, NR2E3 KDM4E 2958/4885LTA4H 2227/4885APLNR 443/4885
US-20050070521-A1 Alkyl ether derivatives or salts thereof AHNAK, NGF, PMP22 KDM4E 766/4885LTA4H 3413/4885APLNR 402/4885

“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.