SCHEMBL6903199

SCHEMBL6903199

N#CCc1cc(OC(F)(F)F)ccc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
TACR1 P25103 1/20 0.40
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
BLM P54132 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
EPAS1 Q99814 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GPR3 P46089 2/20 0.38

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
SCHEMBL31345367 0.82 GPR3 (0.40) MEN1MAPTKMT2AALDH1A1TP53
SCHEMBL18931735 0.81 GPR3 (0.38) MEN1MAPTKMT2ARAB9AALDH1A1
SCHEMBL10564023 0.81 CHRM5 (0.40) MEN1MAPTKMT2ATACR1ALDH1A1
SCHEMBL1905592 0.80 MEN1 (0.46) MEN1MAPTKMT2AHTTRAB9A
SCHEMBL24133953 0.79 GPR3 (0.39) MEN1MAPTKMT2ARAB9AALDH1A1
SCHEMBL11843888 0.78 MTNR1A (0.47) MEN1MAPTKMT2ARAB9AALDH1A1
SCHEMBL178386 0.78 NR1H2 (0.50) MEN1MAPTKMT2AHTTRAB9A
SCHEMBL3616439 0.78 KMT2A (0.45) MEN1MAPTKMT2AHTTRAB9A
SCHEMBL6454163 0.75 SLC6A4 (0.54) MEN1MAPTKMT2AHTTRAB9A
SCHEMBL17091337 0.75 AR (0.43) MEN1MAPTKMT2ARAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040171864-A1 Fluorinated aromatics LANXESS DEUTSCHLAND GMBH (DE) 2004-09-02 US claimed
EP-1431279-A2 Fluoride containing aromatic compounds Bayer Chemicals AG (DE) 2004-06-23 EP claimed
US-20040171864-A1 Fluorinated aromatics LANXESS DEUTSCHLAND GMBH (DE) 2004-09-02 US disclosed
EP-1431279-A2 Fluoride containing aromatic compounds Bayer Chemicals AG (DE) 2004-06-23 EP 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-20040171864-A1 Fluorinated aromatics AFF1, AFF2, AFF4 MEN1 2249/4885MAPT 1012/4885KMT2A 927/4885

“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.