SCHEMBL805879

SCHEMBL805879

O=C(O)c1cccc(OCCCCOc2ccc3c(=O)n(C4CCCC4)sc3c2)c1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
MPI P34949 1/20 0.57
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.44
PLA2G4B P0C869 1/20 0.43
TBXAS1 P24557 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
NR4A2 P43354 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
SCHEMBL805880 0.92 MPI (0.60) CYP1A2CYP2C9MPIKMT2APLA2G4B
SCHEMBL804302 0.89 MPI (0.65) CYP1A2CYP2C9MPIHRH3
SCHEMBL804282 0.85 CYP1A2 (0.77) CYP1A2CYP2C9MPINR4A2
SCHEMBL787280 0.85 MPI (0.60) CYP1A2CYP2C9MPIPLA2G4B
SCHEMBL787090 0.80 CYP1A2 (0.79) CYP1A2CYP2C9MPINR4A2
SCHEMBL804299 0.80 MPI (0.67) CYP1A2CYP2C9MPIKMT2A
SCHEMBL787264 0.79 CYP1A2 (0.70) CYP1A2CYP2C9MPI
SCHEMBL787380 0.78 CYP1A2 (0.67) CYP1A2CYP2C9MPI
SCHEMBL804655 0.76 CYP2C9 (0.76) CYP1A2CYP2C9MPINR4A2
SCHEMBL2371334 0.75 MPI (0.56) CYP1A2CYP2C9MPIHRH3

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 2 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

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 CYP1A2 3286/4885CYP2C9 3909/4885MPI 4265/4885

“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.