SCHEMBL52010

SCHEMBL52010

O=CCOCCc1ccc2sccc2c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.51
CYP2A6 P11509 2/20 0.49
PDE10A Q9Y233 1/20 0.36
TPSAB1 Q15661 1/20 0.36
PTPRC P08575 1/20 0.35
PTPN6 P29350 1/20 0.35
PTPN11 Q06124 1/20 0.35
PTPN22 Q9Y2R2 1/20 0.35
CA12 O43570 4/20 0.35
CA2 P00918 4/20 0.35
CTNNB1 P35222 1/20 0.35
WNT3A P56704 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
DYRK1A Q13627 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32

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
SCHEMBL52117 0.88 SIGMAR1 (0.40) SIGMAR1CYP2A6MRGPRX4OPRM1OPRK1
SCHEMBL4437379 0.87 SIGMAR1 (0.53) SIGMAR1CYP2A6PDE10ATPSAB1PTPRC
SCHEMBL3816494 0.85 SIGMAR1 (0.51) SIGMAR1CYP2A6PDE10ATPSAB1PTPRC
SCHEMBL28273323 0.82 CYP2A6 (0.51) SIGMAR1CYP2A6PDE10ATPSAB1PTPRC
SCHEMBL13873189 0.80 SIGMAR1 (0.57) SIGMAR1CYP2A6PDE10APTPRCPTPN6
SCHEMBL6002906 0.80 SIGMAR1 (0.54) SIGMAR1CYP2A6PDE10ATPSAB1PTPRC
SCHEMBL3813009 0.79 SIGMAR1 (0.60) SIGMAR1CYP2A6PDE10APTPRCPTPN6
SCHEMBL3816500 0.79 SIGMAR1 (0.56) SIGMAR1CYP2A6PDE10APTPRCPTPN6
SCHEMBL47815 0.78 SIGMAR1 (0.54) SIGMAR1CYP2A6PTPRCPTPN6PTPN11
SCHEMBL631289 0.77 CYP2A6 (0.61) SIGMAR1CYP2A6PDE10ATPSAB1PTPRC

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090111992-A1 ALKYL ETHER DERIVATIVES OR SALTS THEREOF AHNAK, NGF, PMP22 SIGMAR1 1934/4885CYP2A6 3512/4885PDE10A 3978/4885

“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.