SCHEMBL7125847

SCHEMBL7125847

Nc1ccc(C(O)C(F)(F)F)c(O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
CASP1 P29466 2/20 0.41
GAA P10253 3/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 2/20 0.37
ESR2 Q92731 1/20 0.37
PTPN1 P18031 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
PDE10A Q9Y233 1/20 0.36
POLB P06746 2/20 0.35
GLA P06280 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
ALOX15 P16050 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPK1 P28482 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 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
SCHEMBL7127480 0.85 CA1 (0.41) TSHRCASP1GAAKDM4EMAPT
SCHEMBL7126651 0.81 CASP1 (0.41) TSHRCASP1GAAKDM4EMAPT
SCHEMBL7127152 0.80 TYR (0.43) ESR2
SCHEMBL28602537 0.78 TSHR (0.36) TSHRCASP1GAAMAPTALDH1A1
SCHEMBL23094690 0.77 ALOX15 (0.39) CASP1CA1CA2ALOX15CYP2C9
SCHEMBL7128529 0.77 TRPA1 (0.57) GAAMAPTALDH1A1POLBTDP1
SCHEMBL18048552 0.76 TSHR (0.43) TSHRCASP1GAAALDH1A1CYP3A4
SCHEMBL28844876 0.74 TSHR (0.38) TSHRCASP1GAAKDM4EMAPT
SCHEMBL6152512 0.74 CASP1 (0.50) TSHRCASP1GAAKDM4EMAPT
SCHEMBL2974508 0.71 LMNA (0.59) TSHRCASP1GAAKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030144541-A1 Process for preparing alpha-halogenated retones RHODIA CHIMIE (FR) 2003-07-31 US disclosed
EP-1250303-A1 METHOD FOR PREPARING ALPHA-HALOGENATED KETONES RHODIA CHIMIE (FR) 2002-10-23 EP disclosed
WO-2001055067-A1 METHOD FOR PREPARING ALPHA-HALOGENATED KETONES RHODIA CHIMIE (FR) 2001-08-02 WO 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-20030144541-A1 Process for preparing alpha-halogenated retones ADH1A, ADH1C, RER1 TSHR 1088/4885CASP1 2286/4885GAA 3543/4885

“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.