SCHEMBL4015237

SCHEMBL4015237

O=Cc1ccc(COCC(=O)O)[se]1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.36
KMT2A Q03164 2/20 0.34
PTGS1 P23219 1/20 0.32
ALOX15 P16050 1/20 0.32
SLC16A3 O15427 1/20 0.31
SLC16A1 P53985 1/20 0.31
MCTS1 Q9ULC4 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL4020805 0.70
SCHEMBL4013262 0.69 PTGDR2 (0.32) PTGDR2KMT2A
SCHEMBL10715229 0.68 PTGDR2 (0.56) PTGDR2KMT2AALOX15SMN1; SMN2
SCHEMBL11556832 0.66 ALOX15 (0.50) PTGDR2KMT2AALOX15SMN1; SMN2
SCHEMBL21068905 0.63 HRH3 (0.43) KMT2AALOX15SMN1; SMN2
SCHEMBL323367 0.63 NR4A2 (0.53) KMT2A
Hydroquinone SCHEMBL8070696 0.63 CA2 (0.52) KMT2AALOX15
SCHEMBL30688439 0.62 MAOA (0.50) PTGDR2SMN1; SMN2
SCHEMBL22436349 0.62 MAOA (0.50) PTGDR2SMN1; SMN2
SCHEMBL231282 0.62 TSHR (0.61) KMT2AALOX15

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
WO-2009085040-A1 PROTEIN KINASE INHIBITORS DCB-USA LLC (US) 2009-07-09 WO disclosed
US-20090163494-A1 PROTEIN KINASE INHIBITORS DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2009-06-25 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-20090163494-A1 PROTEIN KINASE INHIBITORS BRAF, MAP3K20, SELENOI PTGDR2 2110/4885KMT2A 1340/4885PTGS1 2057/4885

“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.