SCHEMBL48204

SCHEMBL48204

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.47
HTT P42858 1/20 0.45
KMT2A Q03164 2/20 0.44
CYP3A4 P08684 3/20 0.44
TNKS2 Q9H2K2 1/20 0.43
CA9 Q16790 1/20 0.42
TAAR1 Q96RJ0 1/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MYC P01106 1/20 0.37
RAB9A P51151 1/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL48126 0.94 CYP3A4 (0.45) HTR2AHTTKMT2ACYP3A4TNKS2
SCHEMBL48163 0.88 HTT (0.58) HTR2AHTTKMT2ACYP3A4TNKS2
SCHEMBL47985 0.85 HTT (0.58) HTR2AHTTKMT2ACYP3A4TNKS2
SCHEMBL12341802 0.85 TNKS2 (0.42) HTR2AHTTKMT2ACYP3A4TNKS2
SCHEMBL20630769 0.77 HTT (0.68) HTTKMT2ACYP3A4CA9TSHR
SCHEMBL3817257 0.77 TNKS2 (0.46) HTTTNKS2CA9LMNASMN1; SMN2
SCHEMBL47914 0.75 APLNR (0.50) KMT2ARAB9AMEN1
SCHEMBL48106 0.75 MTNR1A (0.59) HTR2ATAAR1
SCHEMBL12341799 0.75 SMN1; SMN2 (0.49) HTTCYP3A4TNKS2LMNASMN1; SMN2
SCHEMBL10730178 0.75 CYP3A4 (0.50) HTR2AKMT2ACYP3A4TNKS2TAAR1

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 HTR2A 3787/4885HTT 1376/4885KMT2A 4027/4885
US-20110112066-A1 PREVENTIVE/REMEDY FOR RETINAL NERVE DISEASES CONTAINING ALKYL ETHER DERIVATIVES OR SALTS THEREOF RB1, ALDH1A2, NR2E3 HTR2A 3787/4885HTT 1376/4885KMT2A 4027/4885
US-20060194781-A1 Alkyl ether derivatives or salts thereof AHNAK, NGF, PMP22 HTR2A 4526/4885HTT 2327/4885KMT2A 2482/4885
US-20100075941-A1 PREVENTIVE/REMEDY FOR RETINAL NERVE DISEASES CONTAINING ALKYL ETHER DERIVATIVES OR SALTS THEREOF RB1, ALDH1A2, NR2E3 HTR2A 3787/4885HTT 1376/4885KMT2A 4027/4885
US-20090111992-A1 ALKYL ETHER DERIVATIVES OR SALTS THEREOF AHNAK, NGF, PMP22 HTR2A 4526/4885HTT 2327/4885KMT2A 2482/4885
US-20050070521-A1 Alkyl ether derivatives or salts thereof AHNAK, NGF, PMP22 HTR2A 4526/4885HTT 2327/4885KMT2A 2482/4885

“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.