SCHEMBL47985

SCHEMBL47985

COc1cc(O)c(C(C)=O)cc1CCOC(C)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.58
TNKS2 Q9H2K2 1/20 0.45
HMGCR P04035 2/20 0.43
CYP3A4 P08684 3/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
LTB4R Q15722 5/20 0.40
HTR2A P28223 1/20 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
SCHEMBL48163 0.94 HTT (0.58) HTTTNKS2HMGCRCYP3A4HPGD
SCHEMBL48126 0.88 CYP3A4 (0.45) HTTTNKS2CYP3A4KMT2ASMN1; SMN2
SCHEMBL12341802 0.85 TNKS2 (0.42) HTTTNKS2CYP3A4MEN1KMT2A
SCHEMBL48204 0.85 HTR2A (0.47) HTTTNKS2CYP3A4MEN1KMT2A
SCHEMBL48212 0.83 HTT (0.64) HTTHMGCRCYP3A4HPGDMEN1
SCHEMBL30818285 0.78 HTT (0.66) HTTHMGCRCYP3A4HPGDMEN1
SCHEMBL29220972 0.78 HTT (0.66) HTTHMGCRCYP3A4HPGDMEN1
SCHEMBL13596107 0.78 HTT (0.66) HTTHMGCRCYP3A4HPGDMEN1
SCHEMBL48227 0.77 HTT (0.64) HTTHMGCRCYP3A4HPGDMEN1
SCHEMBL3661837 0.75 HTT (1.00) HTTHMGCRCYP3A4HPGDKMT2A

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 1376/4885TNKS2 3457/4885HMGCR 848/4885
US-20110112066-A1 PREVENTIVE/REMEDY FOR RETINAL NERVE DISEASES CONTAINING ALKYL ETHER DERIVATIVES OR SALTS THEREOF RB1, ALDH1A2, NR2E3 HTT 1376/4885TNKS2 3457/4885HMGCR 848/4885
US-20060194781-A1 Alkyl ether derivatives or salts thereof AHNAK, NGF, PMP22 HTT 2327/4885TNKS2 3201/4885HMGCR 4856/4885
US-20100075941-A1 PREVENTIVE/REMEDY FOR RETINAL NERVE DISEASES CONTAINING ALKYL ETHER DERIVATIVES OR SALTS THEREOF RB1, ALDH1A2, NR2E3 HTT 1376/4885TNKS2 3457/4885HMGCR 848/4885
US-20090111992-A1 ALKYL ETHER DERIVATIVES OR SALTS THEREOF AHNAK, NGF, PMP22 HTT 2327/4885TNKS2 3201/4885HMGCR 4856/4885
US-20050070521-A1 Alkyl ether derivatives or salts thereof AHNAK, NGF, PMP22 HTT 2327/4885TNKS2 3201/4885HMGCR 4856/4885

“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.