SCHEMBL52117

SCHEMBL52117

O=CCOCCc1ccc2ccsc2c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.40
CYP2A6 P11509 2/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
PTGER4 P35408 1/20 0.32
PTGER3 P43115 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
SCHEMBL52010 0.88 SIGMAR1 (0.51) SIGMAR1CYP2A6MRGPRX4OPRM1OPRK1
SCHEMBL47953 0.78 SIGMAR1 (0.43) SIGMAR1CYP2A6MRGPRX4OPRM1OPRK1
SCHEMBL29833385 0.77 CYP2A6 (0.43) SIGMAR1CYP2A6MRGPRX4OPRM1OPRK1
SCHEMBL7247231 0.77 CYP2A6 (0.43) SIGMAR1CYP2A6MRGPRX4OPRM1OPRK1
SCHEMBL48104 0.77 SIGMAR1 (0.51) SIGMAR1CYP2A6MRGPRX4OPRM1OPRK1
SCHEMBL48056 0.77 SIGMAR1 (0.48) SIGMAR1CYP2A6MRGPRX4OPRM1OPRK1
SCHEMBL4437379 0.75 SIGMAR1 (0.53) SIGMAR1CYP2A6MRGPRX4
SCHEMBL3816494 0.73 SIGMAR1 (0.51) SIGMAR1CYP2A6MRGPRX4OPRM1OPRK1
SCHEMBL3807722 0.73 BIRC5 (0.42) SIGMAR1OPRM1OPRK1
SCHEMBL1885515 0.73 SIGMAR1 (0.38) SIGMAR1CYP2A6MRGPRX4OPRM1OPRK1

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 1934/4885CYP2A6 3512/4885MRGPRX4 2392/4885

“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.