SCHEMBL9945895

SCHEMBL9945895

CC(C)c1c(F)ccc(C=O)c1F

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.39
ERN1 O75460 4/20 0.38
TDP1 Q9NUW8 2/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
KCNJ1 P48048 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL14303935 0.81 TDP1 (0.38) TYRTDP1ALDH1A1
SCHEMBL28154797 0.75 TYR (0.48) TYRERN1TDP1MEN1LMNA
SCHEMBL11890580 0.75 CES2 (0.32)
SCHEMBL9945894 0.73 TYR (0.40) TYRERN1TDP1MEN1LMNA
SCHEMBL745181 0.73 ERN1 (0.46) ERN1TDP1MEN1LMNATHRB
SCHEMBL584614 0.72 ERN1 (0.42) ERN1TDP1MEN1LMNATHRB
SCHEMBL31306389 0.72 TDP1 (0.47) TYRERN1TDP1MEN1LMNA
SCHEMBL31306390 0.72 TDP1 (0.47) TYRERN1TDP1MEN1LMNA
SCHEMBL1806887 0.72 TDP1 (0.47) TYRERN1TDP1MEN1LMNA
SCHEMBL12678215 0.72 ACHE (0.30)

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 2328/4885ERN1 2855/4885TDP1 3577/4885

“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.