SCHEMBL22139357

SCHEMBL22139357

CC(C)(C)c1cc(CC2=C(O)C(=C3C(=O)C(c4c(O)c(Cc5cc(C(C)(C)C)cc(C(C)(C)C)c5)c(O)c(Cc5cc(C(C)(C)C)cc(C(C)(C)C)c5)c4O)=C3O)C(O)=C(Cc3cc(C(C)(C)C)cc(C(C)(C)C)c3)C2=O)cc(C(C)(C)C)c1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.30
▸ GABRB2 P47870 1/20 0.30

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
SCHEMBL22139384 0.94 — —
SCHEMBL22139353 0.78 MAPK1 (0.48) —
SCHEMBL22139359 0.74 MEN1 (0.42) —
SCHEMBL22139373 0.70 MAPK1 (0.43) —
SCHEMBL20582344 0.68 GABRA1 (0.45) GABRA1GABRB2
SCHEMBL22139367 0.67 ALOX5 (0.33) —
SCHEMBL22139397 0.65 XIAP (0.41) —
SCHEMBL28433211 0.63 GABRA1 (0.48) GABRA1GABRB2
SCHEMBL22139382 0.63 — —
SCHEMBL20472890 0.61 GABRA1 (0.50) GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200199058-A1 SQUARYLIUM COMPOUNDS FOR USE IN DISPLAY DEVICES NITTO DENKO CORPORATION (JP) 2020-06-25 — — 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-20200199058-A1 SQUARYLIUM COMPOUNDS FOR USE IN DISPLAY DEVICES SQLE, FDFT1, ALDH1A2 GABRA1 265/4885GABRB2 802/4885

“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.

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