SCHEMBL48683

SCHEMBL48683

O=C(O)COCCc1cccc2sccc12

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
CYP19A1 P11511 1/20 0.42
TBXAS1 P24557 1/20 0.42
OPRM1 P35372 7/20 0.39
OPRK1 P41145 7/20 0.39
KMT2A Q03164 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
SCHEMBL3816464 0.84 OPRM1 (0.43) CYP19A1TBXAS1OPRM1OPRK1
SCHEMBL13873185 0.82 CYP19A1 (0.46) CYP19A1TBXAS1OPRM1OPRK1
SCHEMBL3812607 0.82 OPRM1 (0.41) CYP19A1TBXAS1OPRM1OPRK1
SCHEMBL48674 0.81 POLB (0.64) POLB
SCHEMBL47979 0.78 CYP19A1 (0.43) CYP19A1TBXAS1OPRM1OPRK1
SCHEMBL8780121 0.78 ALDH1A1 (0.42) POLBOPRM1OPRK1KMT2A
Oxalic Acid SCHEMBL3811985 0.77 KDM4E (0.49) CYP19A1TBXAS1OPRM1OPRK1
SCHEMBL48642 0.77 DAO (0.39) POLBCYP19A1OPRM1OPRK1KMT2A
SCHEMBL632950 0.77 TDP1 (0.53) OPRM1OPRK1
SCHEMBL48684 0.76 TDP1 (0.57)

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 11 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-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-8129535-B2 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-03-06 US disclosed
EP-1186594-B1 N-ALKOXYALKYL-N,N-DIALKYLAMINE DERIVATIVES OR SALTS THEREOF, AND REMEDIES FOR NERVE DEGENERATION DISEASES CONTAINING THE SAME TOYAMA CHEMICAL CO LTD (JP) 2009-08-05 EP disclosed
US-20090111992-A1 ALKYL ETHER DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-04-30 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
US-7468443-B2 Alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2008-12-23 US disclosed
US-6797726-B1 N-alkoxyalkyl-N,N-dialkylamine derivatives or salts thereof, and remedies for nerve degeneration diseases containing the same TOYAMA CHEMICAL CO., LTD. (JP) 2004-09-28 US disclosed
EP-1186594-A1 N-ALKOXYALKYL-N,N-DIALKYLAMINE DERIVATIVES OR SALTS THEREOF, AND REMEDIES FOR NERVE DEGENERATION DISEASES CONTAINING THE SAME TOYAMA CHEMICAL CO., LTD. (JP) 2002-03-13 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 (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 POLB 3913/4885CYP19A1 4521/4885TBXAS1 3460/4885

“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.