SCHEMBL7128595

SCHEMBL7128595

Oc1ccc(O)c(C(O)C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.42
NR1I2 O75469 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CYP2C9 P11712 1/20 0.42
MIF P14174 1/20 0.42
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
NFE2L2 Q16236 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ESR1 P03372 3/20 0.40
ESR2 Q92731 3/20 0.40
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
DYRK1A Q13627 1/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA7 P43166 2/20 0.34

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
SCHEMBL7127152 0.83 TYR (0.43) TYRESR1ESR2
SCHEMBL12804758 0.82 CA3 (0.40) ADRA2AADRA2BADRA2CCA9CA14
SCHEMBL7077164 0.80 MEN1 (0.45) ALDH1A1LMNACYP2C9ALOX15HTT
SCHEMBL7127480 0.80 CA1 (0.41) ALDH1A1CYP2C9ALOX15HSD17B10ESR2
SCHEMBL7070057 0.80 TRPA1 (0.45) ALDH1A1LMNAALOX15HTTHSD17B10
SCHEMBL7125829 0.79 TYR (0.42) TYRNR1I2ALDH1A1LMNACYP2C9
SCHEMBL302560 0.75 TYR (0.44) TYRNR1I2ALDH1A1LMNACYP2C9
SCHEMBL3993342 0.74 GABRA1 (0.48) ALDH1A1LMNACYP2C9ALOX15HTT
SCHEMBL7124991 0.72 ADRA2A (0.41) ESR1ESR2ADRA2AADRA2BADRA2C
SCHEMBL536338 0.71 TYR (0.46) TYRNR1I2ALDH1A1LMNACYP2C9

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 TYR 569/4885NR1I2 579/4885ALDH1A1 15/4885

“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.