SCHEMBL48106

SCHEMBL48106

COc1ccc(OC)c(CCOC(C)=O)c1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.59
MTNR1B P49286 3/20 0.59
HSD17B10 Q99714 1/20 0.58
ADRA1A P35348 1/20 0.57
TAAR1 Q96RJ0 1/20 0.57
AOC3 Q16853 1/20 0.51
IDO1 P14902 2/20 0.49
HTR2A P28223 1/20 0.46

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
SCHEMBL47914 0.88 APLNR (0.50) MTNR1AMTNR1BHSD17B10
SCHEMBL29279598 0.86 ADRA1A (0.59) MTNR1AMTNR1BHSD17B10ADRA1ATAAR1
SCHEMBL4708636 0.84 MTNR1A (0.46) MTNR1AMTNR1BHSD17B10
SCHEMBL13034128 0.84 HSD17B10 (0.61) MTNR1AMTNR1BHSD17B10ADRA1ATAAR1
SCHEMBL6583328 0.83 ALDH1A1 (0.53) MTNR1AMTNR1BHSD17B10
SCHEMBL11077966 0.81 MTNR1A (0.62) MTNR1AMTNR1BHSD17B10ADRA1ATAAR1
SCHEMBL27974256 0.80 POLB (0.43) MTNR1AMTNR1BIDO1HTR2A
SCHEMBL20072234 0.79 MTNR1A (0.59) MTNR1AMTNR1BTAAR1AOC3
SCHEMBL7332981 0.79 HSD17B10 (0.63) MTNR1AMTNR1BHSD17B10ADRA1ATAAR1
SCHEMBL491188 0.78 HSD17B10 (0.71) MTNR1AMTNR1BHSD17B10ADRA1ATAAR1

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 20 patents. 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
EP-1614419-B1 PREVENTIVE/REMEDY FOR RETINAL NERVE DISEASES CONTAINING ALKYL ETHER DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO LTD (JP) 2012-08-08 EP disclosed
CN-101643470-B Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO LTD 2012-08-01 CN 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
CN-101643470-A Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO LTD JP 2010-02-10 CN disclosed
CN-100500662-C Alkyl ether derivative or salt thereof TOYAMA CHEMICAL CO LTD (JP) 2009-06-17 CN disclosed
US-20090111992-A1 ALKYL ETHER DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-04-30 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
CN-1571786-A Alkyl ether derivative or salt thereof TOYAMA CHEMICAL CO LTD (JP) 2005-01-26 CN 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 (6 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 MTNR1A 73/4885MTNR1B 273/4885HSD17B10 1320/4885
US-20110112066-A1 PREVENTIVE/REMEDY FOR RETINAL NERVE DISEASES CONTAINING ALKYL ETHER DERIVATIVES OR SALTS THEREOF RB1, ALDH1A2, NR2E3 MTNR1A 73/4885MTNR1B 273/4885HSD17B10 1320/4885
US-20060194781-A1 Alkyl ether derivatives or salts thereof AHNAK, NGF, PMP22 MTNR1A 3214/4885MTNR1B 3892/4885HSD17B10 2695/4885
US-20100075941-A1 PREVENTIVE/REMEDY FOR RETINAL NERVE DISEASES CONTAINING ALKYL ETHER DERIVATIVES OR SALTS THEREOF RB1, ALDH1A2, NR2E3 MTNR1A 73/4885MTNR1B 273/4885HSD17B10 1320/4885
US-20090111992-A1 ALKYL ETHER DERIVATIVES OR SALTS THEREOF AHNAK, NGF, PMP22 MTNR1A 3214/4885MTNR1B 3892/4885HSD17B10 2695/4885
US-20050070521-A1 Alkyl ether derivatives or salts thereof AHNAK, NGF, PMP22 MTNR1A 3214/4885MTNR1B 3892/4885HSD17B10 2695/4885

“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.