SCHEMBL787586

SCHEMBL787586

COC(=O)c1ccc(OCCCCOc2ccc3c(=O)n(C4CCCC4)sc3c2)c(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MPI P34949 1/20 0.58
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
FKBP5 Q13451 2/20 0.40
LTB4R Q15722 2/20 0.40
PDE4B Q07343 4/20 0.40
PDE4A P27815 3/20 0.40
PDE4C Q08493 3/20 0.40
PDE4D Q08499 3/20 0.40
DNMT3A Q9Y6K1 1/20 0.40
KMT2A Q03164 1/20 0.39
RAB9A P51151 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
SCHEMBL787280 0.93 MPI (0.60) MPICYP1A2CYP2C9FKBP5LTB4R
SCHEMBL804299 0.85 MPI (0.67) MPICYP1A2CYP2C9FKBP5PDE4B
SCHEMBL2379388 0.85 MPI (0.53) MPICYP1A2CYP2C9PDE4BPDE4A
SCHEMBL805880 0.81 MPI (0.60) MPICYP1A2CYP2C9PDE4BPDE4A
SCHEMBL787130 0.75 MPI (1.00) MPICYP1A2CYP2C9
SCHEMBL5767014 0.71 MAPT (0.64) CYP1A2CYP2C9KMT2A
SCHEMBL787896 0.71 CYP2C9 (0.79) MPICYP1A2CYP2C9
SCHEMBL2149738 0.70 MAPT (0.66) CYP1A2CYP2C9KMT2A
SCHEMBL17149979 0.69 KMT2A (0.63) CYP1A2CYP2C9KMT2A
SCHEMBL5216700 0.69 MGLL (0.62) CYP1A2CYP2C9KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748632-B2 Positive allosteric modulators of group II mGluRs SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2014-06-10 US disclosed
US-20120071503-A1 POSITIVE ALLOSTERIC MODULATORS OF GROUP II MGLURS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-03-22 US disclosed
WO-2011116356-A2 POSITIVE ALLOSTERIC MODULATORS OF GROUP II MGLURS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2011-09-22 WO 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-20120071503-A1 POSITIVE ALLOSTERIC MODULATORS OF GROUP II MGLURS GRM2, GRM1, GRIN2C MPI 4265/4885CYP1A2 3286/4885CYP2C9 3909/4885

“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.