SCHEMBL22139359

SCHEMBL22139359

Cc1ccc(CC2=C(O)/C(=C3/C(=O)C(c4c(O)c(Cc5ccccc5)c(O)c(Cc5ccccc5)c4O)=C3O)C(O)=C(Cc3ccccc3)C2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ PKM P14618 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ STAT3 P40763 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 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
SCHEMBL22139353 0.92 MAPK1 (0.48) MEN1KMT2APOLBMAPK1CYP1A2
SCHEMBL22139373 0.81 MAPK1 (0.43) MEN1KMT2APOLBMAPK1CYP1A2
SCHEMBL22139397 0.79 XIAP (0.41) POLBMAPK1CYP1A2CYP2C9HIF1A
SCHEMBL22139357 0.74 GABRA1 (0.30) —
SCHEMBL22139358 0.70 XIAP (0.39) MEN1KMT2APOLBMAPK1CYP1A2
SCHEMBL22139384 0.68 — —
SCHEMBL22139367 0.66 ALOX5 (0.33) MEN1KMT2AMAPK1CYP2C9ALDH1A1
SCHEMBL2140291 0.63 CALM1 (0.67) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL275839 0.63 CALM1 (0.67) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL9804544 0.62 KDM4E (0.46) POLBMAPK1ALDH1A1KDM4ESMN1; SMN2

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 MEN1 3588/4885KMT2A 3169/4885POLB 4270/4885

“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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