SCHEMBL9945894

SCHEMBL9945894

CC(C)c1ccc(C=O)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.40
EIF4A3 P38919 1/20 0.36
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ERN1 O75460 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
KCNJ1 P48048 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31

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
SCHEMBL12262114 0.84 TYR (0.38) TYRMEN1LMNATHRBBLM
SCHEMBL9945903 0.82 ERN1 (0.42) TYRMEN1LMNATHRBBLM
SCHEMBL30842456 0.80 CA1 (0.39) TYRTDP1ERN1ALDH1A1TSHR
SCHEMBL12173269 0.79 EIF4A3 (0.41) EIF4A3LMNABLMTSHR
SCHEMBL1806887 0.79 TDP1 (0.47) TYRMEN1LMNATHRBBLM
SCHEMBL31306390 0.79 TDP1 (0.47) TYRMEN1LMNATHRBBLM
SCHEMBL31306389 0.79 TDP1 (0.47) TYRMEN1LMNATHRBBLM
SCHEMBL22484321 0.76 EIF4A3 (0.31) EIF4A3
SCHEMBL26229527 0.75 GAA (0.38) TYREIF4A3MEN1LMNAKMT2A
SCHEMBL9945895 0.73 TYR (0.39) TYRMEN1LMNATHRBBLM

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 2250/4885MEN1 4590/4885

“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.