SCHEMBL5224837

SCHEMBL5224837

CC(F)C(=O)c1ccccc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.56
CES1 P23141 3/20 0.56
ALDH1A1 P00352 3/20 0.52
ALOX15 P16050 1/20 0.52
GAA P10253 1/20 0.52
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 3/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
PTPN1 P18031 1/20 0.43
ERCC5 P28715 1/20 0.43
FEN1 P39748 1/20 0.43
BCHE P06276 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 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
SCHEMBL888679 0.85 CES2 (0.58) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL30081009 0.85 CES2 (0.58) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL7685019 0.83 CES2 (0.61) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL30682655 0.83 CES2 (0.60) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL30081002 0.83 CES2 (0.60) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL9312422 0.83 CES2 (0.60) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL11769973 0.82 ALDH1A1 (0.55) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL1155548 0.82 CES2 (0.55) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL9017503 0.80 CES2 (0.53) CES2CES1ALDH1A1ALOX15GAA
SCHEMBL1743417 0.79 CES2 (0.56) CES2CES1ALDH1A1ALOX15GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1829877-A1 BICYCLIC PYRROLE DERIVATIVES Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-09-05 EP disclosed
EP-1464642-B1 NOVEL SUBSTITUTED PYRAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND HERBICIDAL COMPOSITION CONTAINING THE SAME SDS BIOTECH CORP (JP) 2007-08-29 EP disclosed
US-7192906-B2 Substituted pyrazole derivatives, production process thereof, and herbicide compositions containing the derivatives SDS BIOTECH K.K. (JP) 2007-03-20 US disclosed
US-20050014649-A1 Novel substituted pyrazole derivative, process for producing the same, and herbicidal composition containing the same SDS BIOTECH K.K. (JP) 2005-01-20 US disclosed
EP-1464642-A1 NOVEL SUBSTITUTED PYRAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND HERBICIDAL COMPOSITION CONTAINING THE SAME SDS Biotech K.K. (JP) 2004-10-06 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-20050014649-A1 Novel substituted pyrazole derivative, process for producing the same, and herbicidal composition containing the same HPD, HDHD5, CYP2E1 CES2 498/4885CES1 414/4885ALDH1A1 296/4885

“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.