SCHEMBL14969347

SCHEMBL14969347

CCCCCCc1ccc(C(=O)NC)cc1

nearest known ligand 0.87

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 5/20 0.87
RARB P10826 5/20 0.61
THRA P10827 5/20 0.61
THRB P10828 5/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
ALDH1A1 P00352 1/20 0.61
RARA P10276 1/20 0.61
MAPT P10636 1/20 0.61
MTOR P42345 1/20 0.61
HAO1 Q9UJM8 1/20 0.60
PLK3 Q9H4B4 2/20 0.58
SPHK2 Q9NRA0 1/20 0.58
SPHK1 Q9NYA1 1/20 0.58

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
SCHEMBL23484726 0.95 PLK1 (0.79) PLK1RARBTHRATHRBMEN1
SCHEMBL6958590 0.93 PLK1 (1.00) PLK1RARBTHRATHRBALDH1A1
SCHEMBL21628877 0.91 PLK1 (0.72) PLK1RARBTHRATHRBMEN1
SCHEMBL21628518 0.89 PLK1 (0.74) PLK1RARBTHRBPLK3
SCHEMBL9504756 0.86 HDAC1 (0.73) PLK1RARBTHRATHRBMEN1
SCHEMBL28709309 0.86 PLK1 (0.65) PLK1RARBTHRATHRBMEN1
SCHEMBL9206725 0.86 PLK1 (0.65) PLK1RARBTHRATHRBMEN1
SCHEMBL4824490 0.86 PLK1 (0.65) PLK1RARBTHRATHRBMEN1
SCHEMBL9164847 0.86 PLK1 (0.65) PLK1RARBTHRATHRBMEN1
SCHEMBL15174597 0.86 PLK1 (0.65) PLK1RARBTHRATHRBMEN1

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-20130131134-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF MORITA KOHEI (JP) 2013-05-23 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-20130131134-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF PLA2G12A, PLA2G4A, PLA2G4B PLK1 1861/4885RARB 2328/4885THRA 3096/4885

“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.