SCHEMBL48356

SCHEMBL48356

O=C(/C=C\C(=O)OC1CN(CCCOCCc2ccc3sccc3c2)C1)OC(=O)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.64
CTNNB1 P35222 1/20 0.34
WNT3A P56704 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
BCHE P06276 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
CHRNA7 P36544 2/20 0.32
ESR1 P03372 1/20 0.32
TACR2 P21452 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31

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
SCHEMBL47996 0.91 SIGMAR1 (0.73) SIGMAR1OPRM1
SCHEMBL48065 0.91 SIGMAR1 (0.73) SIGMAR1OPRM1
SCHEMBL48110 0.90 SIGMAR1 (0.67) SIGMAR1CTNNB1WNT3AOPRM1OPRD1
Fumaric Acid SCHEMBL48357 0.89 SIGMAR1 (0.75) SIGMAR1CTNNB1WNT3AOPRM1OPRD1
Maleic Acid SCHEMBL48355 0.89 SIGMAR1 (0.75) SIGMAR1CTNNB1WNT3AOPRM1OPRD1
SCHEMBL48186 0.86 SIGMAR1 (0.62) SIGMAR1OPRM1
SCHEMBL4134386 0.81 SIGMAR1 (0.72) SIGMAR1CTNNB1WNT3AOPRM1
SCHEMBL48025 0.81 SIGMAR1 (0.72) SIGMAR1OPRM1
Oxalic Acid SCHEMBL48075 0.80 SIGMAR1 (0.68) SIGMAR1OPRM1
Fumaric Acid SCHEMBL48187 0.79 SIGMAR1 (0.75) SIGMAR1OPRM1MEN1KMT2A

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 9 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-8129535-B2 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-03-06 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
EP-1437353-B1 ALKYL ETHER DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO LTD (JP) 2007-06-13 EP 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
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 (3 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-20060194781-A1 Alkyl ether derivatives or salts thereof AHNAK, NGF, PMP22 SIGMAR1 1934/4885CTNNB1 1823/4885WNT3A 3942/4885
US-20090111992-A1 ALKYL ETHER DERIVATIVES OR SALTS THEREOF AHNAK, NGF, PMP22 SIGMAR1 1934/4885CTNNB1 1823/4885WNT3A 3942/4885
US-20050070521-A1 Alkyl ether derivatives or salts thereof AHNAK, NGF, PMP22 SIGMAR1 1934/4885CTNNB1 1823/4885WNT3A 3942/4885

“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.