SCHEMBL13601374

SCHEMBL13601374

CCS(=O)(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 3/20 0.47
GAA P10253 1/20 0.47
PSIP1 O75475 2/20 0.46
APEX1 P27695 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL5048802 0.84 AHR (0.52) GAAPSIP1APEX1PTGDR2
SCHEMBL7948250 0.83 GAA (0.44) ALDH1A1GAAPSIP1PTGDR2POLB
SCHEMBL7946206 0.83 FLT1 (0.44) ALDH1A1GAAPSIP1PTGDR2POLB
SCHEMBL15960059 0.83 THRB (0.51) MAPK1ALDH1A1KMT2AMEN1THRB
SCHEMBL11856294 0.83 ALDH1A1 (0.47) MAPK1ALDH1A1APEX1KMT2AMEN1
SCHEMBL585199 0.82 PTGS2 (0.49) ALDH1A1PTGDR2KMT2AMEN1
SCHEMBL9806947 0.82 CA1 (0.63) MAPK1ALDH1A1GAAPSIP1PTGDR2
SCHEMBL2393378 0.82 GAA (0.42) MAPK1ALDH1A1GAAPSIP1PTGDR2
SCHEMBL2397432 0.82 ALDH1A1 (0.51) ALDH1A1GAAPSIP1PTGDR2POLB
SCHEMBL708295 0.82 GAA (0.42) ALDH1A1GAAPSIP1PTGDR2POLB

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-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression WYETH (US) 2009-12-31 US disclosed
US-7504391-B2 Selective D1/D5 receptor antagonists for the treatment of obesity and CNS disorders SCHERING CORPORATION (US) 2009-03-17 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-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression GRM5, GRIK5, GRM1 MAPK1 1370/4885ALDH1A1 3104/4885GAA 4319/4885

“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.