SCHEMBL463621

SCHEMBL463621

CCC(=O)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.53
▸ DRD3 P35462 2/20 0.53
▸ DRD2 P14416 1/20 0.53
▸ LMNA P02545 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ GRIN2D O15399 2/20 0.49
▸ GRIN1 Q05586 2/20 0.49
▸ GRIN2A Q12879 2/20 0.49
▸ GRIN2B Q13224 2/20 0.49
▸ GRIN2C Q14957 2/20 0.49
▸ OPRD1 P41143 2/20 0.49
▸ CACNA1F O60840 1/20 0.49
▸ ABCB1 P08183 1/20 0.49
▸ CYP2B6 P20813 1/20 0.49
▸ DRD4 P21917 1/20 0.49
▸ OPRK1 P41145 1/20 0.49
▸ CACNA1D Q01668 1/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ CACNA1S Q13698 1/20 0.49

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
SCHEMBL29008162 0.83 L3MBTL1 (0.53) OPRM1DRD3DRD2LMNAHTT
SCHEMBL30497944 0.83 OPRM1 (0.53) OPRM1DRD3DRD2LMNAHTT
SCHEMBL10293315 0.81 OPRM1 (0.51) OPRM1DRD3DRD2LMNAHTT
SCHEMBL13545191 0.81 OPRM1 (0.51) OPRM1DRD3DRD2LMNAHTT
SCHEMBL12282314 0.81 OPRM1 (0.51) OPRM1DRD3DRD2LMNAHTT
SCHEMBL5873291 0.80 CYP2C9 (0.47) OPRM1DRD3DRD2LMNAHTT
SCHEMBL13828216 0.80 OPRM1 (0.55) OPRM1DRD3DRD2LMNAHTT
SCHEMBL29921428 0.79 OPRM1 (0.50) OPRM1DRD3DRD2LMNAHTT
SCHEMBL12883298 0.78 HDAC3 (0.53) OPRM1DRD3DRD2GRIN2DGRIN1
SCHEMBL270134 0.78 MAPT (0.57) OPRM1DRD3DRD2GRIN2DGRIN1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120289457-A1 PEPTIDE OLIGONUCLEOTIDE CONJUGATES AVI BIOPHARMA, INC. (US) 2012-11-15 — — US disclosed
US-20120065169-A1 OLIGONUCLEOTIDE ANALOGUES HAVING MODIFIED INTERSUBUNIT LINKAGES AND/OR TERMINAL GROUPS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2012-03-15 — — US disclosed
CN-1280674-C Photosensitive film for circuit formation and process for producing printed wiring board HITACHI CHEMICAL CO LTD (JP) 2006-10-18 — — CN disclosed
CN-1232884-C Photoresisting agent composition SHIPLEY INC (US) 2005-12-21 — — CN disclosed
CN-1229692-C Photo-corrosion-resisting agent composition HIPPLY CO (US) 2005-11-30 — — CN disclosed
CN-1500231-A Photosensitive film for circuit formation and process for producing printed wiring board 日立化成工业株式会社 2004-05-26 — — CN disclosed
CN-1428653-A Photoresisting agent composition SHIPLEY INC (US) 2003-07-09 — — CN disclosed
CN-1427307-A Photo-corrosion-resisting agent composition HIPPLY CO (US) 2003-07-02 — — CN 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 (2 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-20120065169-A1 OLIGONUCLEOTIDE ANALOGUES HAVING MODIFIED INTERSUBUNIT LINKAGES AND/OR TERMINAL GROUPS NSUN2, UPF1, RTCB OPRM1 2325/4885DRD3 4414/4885DRD2 4736/4885
US-20120289457-A1 PEPTIDE OLIGONUCLEOTIDE CONJUGATES SNRPE, SMN1; SMN2, UPF1 OPRM1 3207/4885DRD3 4845/4885DRD2 4872/4885

“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.

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