SCHEMBL1245254

SCHEMBL1245254

CCOC(=O)C=C(c1ccc(Br)s1)c1ccc(Br)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.46
▸ CES1 P23141 1/20 0.46
▸ GSK3B P49841 2/20 0.45
▸ DAO P14920 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ NPSR1 Q6W5P4 4/20 0.42
▸ POLB P06746 4/20 0.42
▸ RXFP1 Q9HBX9 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ PPARG P37231 2/20 0.42
▸ NCOA2 Q15596 2/20 0.42
▸ ESR1 P03372 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ GAA P10253 1/20 0.41

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
SCHEMBL64687 0.78 HDAC3 (0.58) CES2CES1GSK3BDAOLMNA
SCHEMBL6613707 0.77 GSK3B (0.41) CES2CES1GSK3BDAOLMNA
SCHEMBL6613712 0.77 GSK3B (0.41) CES2CES1GSK3BDAOLMNA
SCHEMBL3958438 0.77 HDAC3 (0.57) CES2CES1GSK3BDAOLMNA
SCHEMBL130201 0.76 ALDH1A1 (0.47) CES2CES1DAOLMNATSHR
SCHEMBL1164276 0.76 CES2 (0.60) CES2CES1GSK3BDAOLMNA
SCHEMBL19224033 0.73 CES2 (0.47) CES2CES1GSK3BDAOLMNA
SCHEMBL490430 0.73 GSK3B (0.54) CES2CES1GSK3BDAOLMNA
SCHEMBL2279695 0.73 CES2 (0.45) CES2CES1GSK3BDAOLMNA
SCHEMBL658023 0.72 MAPT (0.49) CES2CES1GSK3BLMNAALDH1A1

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-20110039841-A1 Novel compounds, their preparation and use NOVO NORDISK A/S (DK) 2011-02-17 — — US disclosed
EP-1763511-B1 PHENOXYACETIC ACID DERIVATIVES AS PPAR AGONISTS HIGH POINT PHARMACEUTICALS LLC (US) 2010-07-28 — — EP 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-20110039841-A1 Novel compounds, their preparation and use PPARG, PPARD, PPARA CES2 1343/4885CES1 188/4885GSK3B 2102/4885

“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.

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