SCHEMBL10065836

SCHEMBL10065836

CN1Cc2ccccc2C[C@H]1CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.44
OPRL1 P41146 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
ITGB1 P05556 3/20 0.43
ITGA5 P08648 2/20 0.43
KDM4E B2RXH2 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
ACE P12821 2/20 0.41
NOTUM Q6P988 1/20 0.41
PDE8B O95263 1/20 0.40
ITGA4 P13612 1/20 0.40
NR1D1 P20393 1/20 0.39

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
SCHEMBL6651633 0.80 OPRM1 (0.48) OPRM1OPRL1ALDH1A1MAPK1ACE
SCHEMBL6651630 0.80 OPRM1 (0.48) OPRM1OPRL1ALDH1A1MAPK1ACE
SCHEMBL14135549 0.78 OPRM1 (0.49) OPRM1OPRL1ALDH1A1MAPK1KDM4E
SCHEMBL13155623 0.78 OPRM1 (0.49) OPRM1OPRL1ALDH1A1MAPK1KDM4E
SCHEMBL13452979 0.78 OPRM1 (0.49) OPRM1OPRL1ALDH1A1MAPK1KDM4E
SCHEMBL14559363 0.77 MTNR1A (0.52) OPRM1ALDH1A1MAPK1
SCHEMBL29401750 0.77 OPRD1 (0.49) MAPK1ACENR1D1
SCHEMBL5064869 0.77 OPRD1 (0.49) MAPK1ACENR1D1
SCHEMBL29163531 0.77 OPRD1 (0.49) MAPK1ACENR1D1
SCHEMBL4595926 0.77 OPRD1 (0.49) MAPK1ACENR1D1

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-20120071329-A1 METHODS FOR IDENTIFYING COMPOUNDS OF INTEREST USING ENCODED LIBRARIES GLAXOSMITHKLINE LLC (US) 2012-03-22 US disclosed
US-20110251089-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES GLAXOSMITHKLINE (US) 2011-10-13 US disclosed
US-7989395-B2 Methods for identifying compounds of interest using encoded libraries GLAXOSMITHKLINE LLC (US) 2011-08-02 US disclosed
EP-2338990-A2 Methods for synthesis of encoded libraries Praecis Pharmaceuticals Inc. (US) 2011-06-29 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-20110251089-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES RNGTT, DTYMK, DUT OPRM1 3104/4885OPRL1 1341/4885ALDH1A1 2470/4885

“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.