SCHEMBL21052247

SCHEMBL21052247

Fc1cc(Nc2ccccc2)cc(F)c1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.57
ALDH1A1 P00352 6/20 0.55
TSHR P16473 4/20 0.55
TDP1 Q9NUW8 4/20 0.55
ALOX12 P18054 3/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
ALOX15 P16050 2/20 0.55
PTGS1 P23219 1/20 0.55
SLC6A2 P23975 1/20 0.55
MAPK1 P28482 1/20 0.55
PTGS2 P35354 1/20 0.55
HTR2B P41595 1/20 0.55
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
MAPT P10636 3/20 0.54
AR P10275 1/20 0.54
RAPGEF4 Q8WZA2 1/20 0.45
CYP3A4 P08684 5/20 0.45
HPGD P15428 2/20 0.45
LMNA P02545 2/20 0.45

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
SCHEMBL392345 0.84 RAPGEF4 (0.56) RAPGEF4EGFRGRM4
SCHEMBL22923395 0.81 RAPGEF4 (0.45) HSD17B10ALDH1A1TSHRTDP1ALOX12
SCHEMBL1028180 0.79 ALDH1A1 (0.59) HSD17B10ALDH1A1TSHRTDP1ALOX12
SCHEMBL29240832 0.79 HSD17B10 (0.48) HSD17B10ALDH1A1TSHRTDP1ALOX12
SCHEMBL2852704 0.79 ALDH1A1 (0.82) HSD17B10ALDH1A1TSHRTDP1ALOX12
SCHEMBL1118796 0.78 HSD17B10 (0.60) HSD17B10ALDH1A1TSHRTDP1ALOX12
SCHEMBL23638848 0.77 ALDH1A1 (0.56) HSD17B10ALDH1A1TSHRTDP1ALOX12
SCHEMBL30448440 0.76 ALDH1A1 (0.78) HSD17B10ALDH1A1TSHRTDP1ALOX12
SCHEMBL1769240 0.76 HSD17B10 (0.44) HSD17B10ALDH1A1TSHRTDP1ALOX12
Diphenylamine SCHEMBL229 0.76 HSD17B10 (1.00) HSD17B10ALDH1A1TSHRTDP1ALOX12

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
EP-3720852-A1 FLUOROPHENYL SUBSTITUTED MUSCARINIC RECEPTOR LIGANDS WITH SELECTIVITY FOR M3 OVER M2 Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2020-10-14 EP disclosed
US-20200308168-A1 FLUOROPHENYL SUBSTITUTED MUSCARINIC RECEPTOR LIGANDS WITH SELECTIVITY FOR M3 OVER M2 Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2020-10-01 US disclosed
WO-2019110521-A1 FLUOROPHENYL SUBSTITUTED MUSCARINIC RECEPTOR LIGANDS WITH SELECTIVITY FOR M3 OVER M2 Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2019-06-13 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-20200308168-A1 FLUOROPHENYL SUBSTITUTED MUSCARINIC RECEPTOR LIGANDS WITH SELECTIVITY FOR M3 OVER M2 CHRM2, CHRM3, CHRM5 HSD17B10 3669/4885ALDH1A1 866/4885TSHR 353/4885

“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.