SCHEMBL9945901

SCHEMBL9945901

CC(C)c1cc(F)c(C=O)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.41
EIF4A3 P38919 1/20 0.40
FABP3 P05413 2/20 0.36
FABP4 P15090 2/20 0.36
FABP5 Q01469 1/20 0.36
MTOR P42345 2/20 0.35
PIK3CD O00329 1/20 0.35
ABL1 P00519 1/20 0.35
EGFR P00533 1/20 0.35
HCK P08631 1/20 0.35
SRC P12931 1/20 0.35
KDR P35968 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
EPHB4 P54760 1/20 0.35
PRKDC P78527 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
ERN1 O75460 1/20 0.33

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
SCHEMBL18589747 0.83 ADRB2 (0.36) TYREIF4A3FABP3FABP4FABP5
SCHEMBL7979463 0.74 TYR (0.43) TYRFABP3FABP4FABP5MTOR
SCHEMBL2590567 0.74 FABP4 (0.52) TYRFABP3FABP4FABP5MTOR
SCHEMBL289022 0.73 ERN1 (0.41) MTORPIK3CDABL1EGFRHCK
SCHEMBL28091181 0.73 TYR (0.57) TYRFABP3FABP4FABP5MTOR
SCHEMBL9945899 0.72 TYR (0.61) TYREIF4A3MTORPIK3CDABL1
SCHEMBL95723 0.72 ERN1 (0.50) MTORPIK3CDABL1EGFRHCK
SCHEMBL8134770 0.72 CES2 (0.41) EIF4A3FABP3FABP4FABP5GABRA1
SCHEMBL21766260 0.71 FABP4 (0.44) EIF4A3FABP3FABP4FABP5GABRA1
SCHEMBL31155362 0.71 PIK3CD (0.33) MTORPIK3CDABL1EGFRHCK

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-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 TYR 2328/4885EIF4A3 2250/4885FABP3 362/4885

“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.