SCHEMBL4512017

SCHEMBL4512017

COc1ccc(Cn2c(C)cc(O)c(Cl)c2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
MAPT P10636 2/20 0.54
KDM4E B2RXH2 1/20 0.54
ALOX15 P16050 1/20 0.54
PDE1B Q01064 9/20 0.52
PDE1C Q14123 9/20 0.52
PDE1A P54750 8/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CMA1 P23946 1/20 0.46
TYMS P04818 1/20 0.46
P2RX4 Q99571 1/20 0.45
KLKB1 P03952 1/20 0.45

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
SCHEMBL4513012 0.87 CMA1 (0.51) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL4510513 0.85 ALDH1A1 (0.53) ALDH1A1MAPTKDM4EALOX15PDE1B
SCHEMBL4510612 0.84 GAA (0.41) ALDH1A1MAPTKDM4EPDE1BPDE1C
SCHEMBL4509832 0.84 PDE1A (0.48) ALDH1A1MAPTKDM4EPDE1BPDE1C
SCHEMBL31560451 0.78 MAPT (0.72) ALDH1A1MAPTKDM4EALOX15PDE1B
SCHEMBL4514201 0.77 MIF (0.48) ALDH1A1MAPTMEN1KMT2A
SCHEMBL4376098 0.77 ALDH1A1 (0.57) ALDH1A1MAPTKDM4EALOX15PDE1B
SCHEMBL19434475 0.77 ALDH1A1 (0.53) ALDH1A1MAPTKDM4EALOX15PDE1B
SCHEMBL4682769 0.76 ALDH1A1 (0.55) ALDH1A1MAPTKDM4EALOX15PDE1B
SCHEMBL4384391 0.75 SRC (0.51) ALDH1A1KMT2A

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
US-20090270350-A1 Pyridinone Pyrazole Urea and Pyrimidinone Pyrazole Urea Derivatives PFIZER INC. 2009-10-29 US disclosed
US-20090270350-A1 Pyridinone Pyrazole Urea and Pyrimidinone Pyrazole Urea Derivatives PFIZER INC. 2009-10-29 US disclosed
US-20090270350-A1 Pyridinone Pyrazole Urea and Pyrimidinone Pyrazole Urea Derivatives PFIZER INC. 2009-10-29 US disclosed
EP-1987022-A1 PYRIDINONE PYRAZOLE UREA AND PYRIMIDINONE PYRAZOLE UREA DERIVATIVES Pfizer Products Inc. (US) 2008-11-05 EP disclosed
WO-2007091176-A1 PYRIDINONE PYRAZOLE UREA AND PYRIMIDINONE PYRAZOLE UREA DERIVATIVES PFIZER PRODUCTS INC. (US) 2007-08-16 WO disclosed
WO-2007091176-A1 PYRIDINONE PYRAZOLE UREA AND PYRIMIDINONE PYRAZOLE UREA DERIVATIVES PFIZER PRODUCTS INC. (US) 2007-08-16 WO 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-20090270350-A1 Pyridinone Pyrazole Urea and Pyrimidinone Pyrazole Urea Derivatives PDXK, UMPS, CDK2 ALDH1A1 1197/4885MAPT 2264/4885KDM4E 1348/4885

“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.