SCHEMBL958554

SCHEMBL958554

Fc1ccc(Oc2cccc(Cl)n2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.50
TRPA1 O75762 10/20 0.46
HSPB1 P04792 2/20 0.43
MAPK14 Q16539 2/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL30350822 0.85 MAP4K4 (0.49) MAP4K4KDM4EALDH1A1L3MBTL1
SCHEMBL19510981 0.85 MAP4K4 (0.49) MAP4K4KDM4EALDH1A1L3MBTL1
SCHEMBL31264700 0.84 POLB (0.39) MAP4K4KDM4EALDH1A1L3MBTL1
SCHEMBL31637211 0.81 MAP4K4 (0.54) MAP4K4TRPA1HSPB1MAPK14
SCHEMBL17609022 0.77 L3MBTL1 (0.55) MAP4K4KDM4EALDH1A1L3MBTL1
SCHEMBL16695498 0.76 MEN1 (0.51) HSPB1MAPK14KDM4EALDH1A1L3MBTL1
SCHEMBL9493242 0.75 L3MBTL1 (0.42) MAP4K4KDM4EALDH1A1NPSR1L3MBTL1
SCHEMBL31264722 0.75 EGFR (0.39) L3MBTL1
SCHEMBL10697201 0.74 L3MBTL1 (0.41) MAP4K4KDM4EALDH1A1L3MBTL1
SCHEMBL958698 0.74 ALDH1A1 (0.53) MAP4K4KDM4EALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
EP-2253618-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING Takeda Pharmaceutical Company Limited (JP) 2010-11-24 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-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING GPR4, NR3C2, NR5A2 MAP4K4 2519/4885TRPA1 611/4885HSPB1 2960/4885

“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.