SCHEMBL48212

SCHEMBL48212

COc1cc(O)c(C(C)=O)cc1CCO

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.64
HMGCR P04035 2/20 0.46
CYP3A4 P08684 6/20 0.44
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPK1 P28482 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HTR2A P28223 1/20 0.41
MAPT P10636 3/20 0.41
GAA P10253 1/20 0.41
TTR P02766 1/20 0.40
LMNA P02545 2/20 0.40
LTB4R Q15722 3/20 0.39

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
SCHEMBL48227 0.94 HTT (0.64) HTTHMGCRCYP3A4HPGDSMN1; SMN2
SCHEMBL47985 0.83 HTT (0.58) HTTHMGCRCYP3A4HPGDSMN1; SMN2
SCHEMBL48292 0.83 HMGCR (0.50) HTTHMGCRCYP3A4HPGDMEN1
SCHEMBL13596107 0.82 HTT (0.66) HTTHMGCRCYP3A4HPGDSMN1; SMN2
SCHEMBL29220972 0.82 HTT (0.66) HTTHMGCRCYP3A4HPGDSMN1; SMN2
SCHEMBL30818285 0.82 HTT (0.66) HTTHMGCRCYP3A4HPGDSMN1; SMN2
SCHEMBL3661837 0.79 HTT (1.00) HTTHMGCRCYP3A4HPGDSMN1; SMN2
SCHEMBL30398255 0.79 HTT (1.00) HTTHMGCRCYP3A4HPGDSMN1; SMN2
SCHEMBL3959266 0.78 HTT (0.60) HTTHMGCRCYP3A4HPGDSMN1; SMN2
SCHEMBL3957202 0.78 HTT (0.69) HTTHMGCRCYP3A4HPGDSMN1; SMN2

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
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
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-20090111992-A1 ALKYL ETHER DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-04-30 US 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
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 (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 HTT 1376/4885HMGCR 848/4885CYP3A4 4524/4885
US-20110112066-A1 PREVENTIVE/REMEDY FOR RETINAL NERVE DISEASES CONTAINING ALKYL ETHER DERIVATIVES OR SALTS THEREOF RB1, ALDH1A2, NR2E3 HTT 1376/4885HMGCR 848/4885CYP3A4 4524/4885
US-20060194781-A1 Alkyl ether derivatives or salts thereof AHNAK, NGF, PMP22 HTT 2327/4885HMGCR 4856/4885CYP3A4 4258/4885
US-20100075941-A1 PREVENTIVE/REMEDY FOR RETINAL NERVE DISEASES CONTAINING ALKYL ETHER DERIVATIVES OR SALTS THEREOF RB1, ALDH1A2, NR2E3 HTT 1376/4885HMGCR 848/4885CYP3A4 4524/4885
US-20090111992-A1 ALKYL ETHER DERIVATIVES OR SALTS THEREOF AHNAK, NGF, PMP22 HTT 2327/4885HMGCR 4856/4885CYP3A4 4258/4885
US-20050070521-A1 Alkyl ether derivatives or salts thereof AHNAK, NGF, PMP22 HTT 2327/4885HMGCR 4856/4885CYP3A4 4258/4885

“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.