SCHEMBL52456

SCHEMBL52456

CCCCOC1CN(C(=O)CCOCCc2ccc3sccc3c2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.52
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
LMNA P02545 2/20 0.33
MAPK1 P28482 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
ME2 P23368 2/20 0.33
ME1 P48163 2/20 0.33
ME3 Q16798 2/20 0.33
CYP2A6 P11509 1/20 0.33
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 1/20 0.32
CA12 O43570 2/20 0.32
CA2 P00918 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
HCRTR1 O43613 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
SCHEMBL48233 0.88 SIGMAR1 (0.51) SIGMAR1OPRM1OPRK1CYP2A6KDM4E
SCHEMBL14492351 0.85 SIGMAR1 (0.54) SIGMAR1OPRM1OPRK1CYP2A6KDM4E
SCHEMBL48860 0.85 SIGMAR1 (0.56) SIGMAR1OPRM1OPRK1CYP2A6KDM4E
SCHEMBL48261 0.85 SIGMAR1 (0.50) SIGMAR1OPRM1OPRK1CYP2A6KMT2A
SCHEMBL48155 0.85 SIGMAR1 (0.51) SIGMAR1OPRM1OPRK1TLR8TLR7
SCHEMBL47947 0.84 SIGMAR1 (0.49) SIGMAR1OPRM1OPRK1CYP2A6ROCK2
SCHEMBL47836 0.84 SIGMAR1 (0.66) SIGMAR1OPRM1OPRK1CYP2A6KDM4E
SCHEMBL48172 0.84 SIGMAR1 (0.51) SIGMAR1OPRM1OPRK1CYP2A6KDM4E
SCHEMBL48246 0.83 SIGMAR1 (0.50) SIGMAR1OPRM1OPRK1CYP2A6KMT2A
SCHEMBL47931 0.83 SIGMAR1 (0.49) SIGMAR1OPRM1OPRK1CYP2A6

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 4 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

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 1934/4885OPRM1 1485/4885OPRK1 614/4885

“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.