SCHEMBL804655

SCHEMBL804655

O=c1c2ccc(OCc3cccc(-c4ccccc4)c3)cc2sn1C1CCCC1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.76
CYP1A2 P05177 1/20 0.76
MPI P34949 1/20 0.57
ADRA1A P35348 1/20 0.44
HRH1 P35367 1/20 0.44
NR4A2 P43354 1/20 0.43
FFAR1 O14842 1/20 0.43

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
SCHEMBL787090 0.92 CYP1A2 (0.79) CYP2C9CYP1A2MPINR4A2
SCHEMBL804731 0.91 CYP2C9 (0.75) CYP2C9CYP1A2MPIADRA1AHRH1
SCHEMBL804282 0.91 CYP1A2 (0.77) CYP2C9CYP1A2MPINR4A2
SCHEMBL804389 0.87 CYP2C9 (0.82) CYP2C9CYP1A2MPIADRA1AHRH1
SCHEMBL787623 0.87 CYP2C9 (0.88) CYP2C9CYP1A2MPIADRA1AHRH1
SCHEMBL787273 0.87 CYP2C9 (0.82) CYP2C9CYP1A2MPIADRA1AHRH1
SCHEMBL804227 0.87 CYP2C9 (1.00) CYP2C9CYP1A2ADRA1AHRH1
SCHEMBL787371 0.87 CYP1A2 (0.64) CYP2C9CYP1A2MPI
SCHEMBL787422 0.86 CYP2C9 (0.68) CYP2C9CYP1A2MPIADRA1AHRH1
SCHEMBL787264 0.86 CYP1A2 (0.70) CYP2C9CYP1A2MPI

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 CYP2C9 3909/4885CYP1A2 3286/4885MPI 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.