SCHEMBL3364561

SCHEMBL3364561

COc1ccccc1N(c1ccc(Br)cc1)c1ccccc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.54
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA12 O43570 1/20 0.43
CA4 P22748 1/20 0.43
CA14 Q9ULX7 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
ALOX12 P18054 1/20 0.42
HIF1A Q16665 1/20 0.42
MAPK1 P28482 2/20 0.40
TP53 P04637 2/20 0.38
NPC1 O15118 2/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL3364655 0.95 PTGES (0.50) PTGESCA1CA2CA7CA9
SCHEMBL15703025 0.91 PTGES (0.50) PTGESCA1CA2CA7CA9
SCHEMBL22014967 0.86 PTGES (0.46) PTGESCA1CA2CA7CA9
SCHEMBL20386672 0.84 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL8943935 0.83 PTGES (0.51) PTGESCA1CA2CA7CA9
SCHEMBL19275049 0.82 CA1 (0.48) PTGESCA1CA2CA7CA9
SCHEMBL31010153 0.81 ESR1 (0.55) PTGESCA1CA2CA7CA9
SCHEMBL19275032 0.81 CA1 (0.46) PTGESCA1CA2CA7CA9
SCHEMBL4669496 0.80 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL29449742 0.80 CA1 (0.50) CA1CA2CA7CA9CA12

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-8183393-B2 Dye compound and dye-sensitized solar cell ACADEMIA SINICA (TW) 2012-05-22 US disclosed
US-20100076205-A1 DYE COMPOUND AND DYE-SENSITIZED SOLAR CELL ACADEMIA SINICA (TW) 2010-03-25 US 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-20100076205-A1 DYE COMPOUND AND DYE-SENSITIZED SOLAR CELL CRY1, DSG1, CRY2 PTGES 2174/4885CA1 2118/4885CA2 1547/4885

“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.