SCHEMBL2819485

SCHEMBL2819485

CCOC(=O)c1cnn(Cc2ccc3ccccc3c2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 6/20 0.55
GRM2 Q14416 2/20 0.54
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NOD2 Q9HC29 1/20 0.42
NOD1 Q9Y239 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
SCHEMBL31307738 0.90 KLKB1 (0.51) KLKB1GRM2ALDH1A1SMN1; SMN2MAPT
SCHEMBL553953 0.85 KLKB1 (0.58) KLKB1GRM2NPC1
SCHEMBL553848 0.85 ALDH1A1 (0.60) KLKB1GRM2ALDH1A1LMNASMN1; SMN2
SCHEMBL2822906 0.84 ALDH1A1 (0.53) GRM2ALDH1A1LMNASMN1; SMN2
SCHEMBL1909166 0.83 GRM2 (0.53) KLKB1GRM2KDM4ENPC1MEN1
SCHEMBL4771423 0.82 MEN1 (0.62) KLKB1GRM2KDM4EMEN1KMT2A
SCHEMBL2821953 0.82 LMNA (0.54) KLKB1GRM2NPC1ALDH1A1LMNA
SCHEMBL554179 0.82 KLKB1 (0.55) KLKB1MEN1KMT2A
SCHEMBL28595790 0.82 ESR1 (0.55) KLKB1GRM2KDM4ENPC1MEN1
SCHEMBL3606832 0.82 SMN1; SMN2 (0.57) KLKB1GRM2KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2010-07-22 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-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA PPARA, PPARD, PPARG KLKB1 1854/4885GRM2 849/4885KDM4E 4620/4885

“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.