SCHEMBL7127480

SCHEMBL7127480

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
PDE10A Q9Y233 1/20 0.41
KDM4E B2RXH2 3/20 0.37
CASP1 P29466 2/20 0.37
ALOX15 P16050 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
MEN1 O00255 1/20 0.37
TNF P01375 1/20 0.37
HSPD1 P10809 1/20 0.37
THRB P10828 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
PTGS2 P35354 1/20 0.37
KDR P35968 1/20 0.37
BRCA1 P38398 1/20 0.37

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
SCHEMBL7125847 0.85 TSHR (0.41) CA1CA2PDE10AKDM4ECASP1
SCHEMBL28602537 0.82 TSHR (0.36) CASP1ALOX15HSD17B10ALDH1A1CYP3A4
SCHEMBL7118636 0.81 CA1 (0.45) CA1CA2PDE10AKDM4ECASP1
SCHEMBL17774740 0.81 CA1 (0.41) CA1CA2PDE10AKDM4ECASP1
SCHEMBL7128595 0.80 TYR (0.42) CA1CA2ALOX15HSD17B10ALDH1A1
SCHEMBL18048552 0.79 TSHR (0.43) CA1CA2CASP1ALOX15HSD17B10
SCHEMBL12804758 0.78 CA3 (0.40) PTGS2
SCHEMBL18826532 0.77 CA1 (0.48) CA1CA2PDE10AKDM4ECASP1
SCHEMBL7077164 0.77 MEN1 (0.45) CA1CA2KDM4ECASP1ALOX15
SCHEMBL7070057 0.77 TRPA1 (0.45) ALOX15HSD17B10ALDH1A1TDP1MEN1

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 CA1 671/4885CA2 1839/4885PDE10A 3909/4885

“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.