SCHEMBL5147803

SCHEMBL5147803

CC(C(=O)c1ccc(OCc2ccccc2)cc1)C(=O)C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.57
NR4A2 P43354 2/20 0.56
NR4A1 P22736 1/20 0.56
NR4A3 Q92570 1/20 0.56
PARP10 Q53GL7 1/20 0.54
SRD5A2 P31213 1/20 0.52
PLA2G4B P0C869 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
EGFR P00533 2/20 0.49
LMNA P02545 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
PPARD Q03181 1/20 0.48
PPARA Q07869 1/20 0.48
LTA4H P09960 1/20 0.48

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
SCHEMBL7800195 0.83 MAOB (0.58) MAOBNR4A2NR4A1NR4A3PARP10
SCHEMBL6816962 0.82 MAOB (0.69) MAOBNR4A2NR4A1NR4A3PARP10
SCHEMBL3648188 0.80 CES1 (0.50) L3MBTL1LMNAALDH1A1HTTSMN1; SMN2
SCHEMBL169289 0.79 MAOB (0.65) MAOBNR4A2NR4A1NR4A3PARP10
SCHEMBL5078379 0.79 MAOB (0.65) MAOBNR4A2NR4A1NR4A3PARP10
SCHEMBL103047 0.79 MAOB (0.65) MAOBNR4A2NR4A1NR4A3PARP10
SCHEMBL4599839 0.79 L3MBTL1 (0.66) MAOBNR4A2NR4A1NR4A3PARP10
SCHEMBL7764407 0.79 NR4A2 (0.68) MAOBNR4A2NR4A1NR4A3PARP10
SCHEMBL277187 0.79 MAOB (0.53) MAOBNR4A2NR4A1NR4A3PARP10
Trifluoroacetic Acid SCHEMBL6593716 0.78 MAOB (0.56) MAOBNR4A2NR4A1NR4A3PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567503-B1 PYRAZOLE DERIVATIVES USEFUL AS COX-I INHIBITORS ASTELLAS PHARMA INC (JP) 2011-12-21 EP disclosed
US-20070112037-A1 Pyrazole Derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2007-05-17 US disclosed
US-7183306-B2 Pyrazole derivatives ASTELLAS PHARMA INC. (JP) 2007-02-27 US disclosed
EP-1567503-A1 PYRAZOLE DERIVATIVES USEFUL AS COX-I INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-08-31 EP disclosed
WO-2004050632-A1 PYRAZOLE DERIVATIVES USEFUL AS COX-I INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-17 WO disclosed
US-20040116475-A1 Pyrazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-17 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-20070112037-A1 Pyrazole Derivatives CYP11B2, CYP11B1, CYP3A43 MAOB 601/4885NR4A2 428/4885NR4A1 87/4885

“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.