SCHEMBL21293779

SCHEMBL21293779

N#Cc1cccc(-c2cccc3oc4ccccc4c23)c1-c1cccc2oc3ccccc3c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ PDK2 Q15119 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MAOA P21397 3/20 0.35
▸ GLA P06280 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ PGAM1 P18669 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL21692188 0.91 CA1 (0.37) CA1CA2KDM4EALDH1A1PDK2
SCHEMBL31598897 0.89 CA1 (0.40) CA1CA2KDM4EALDH1A1KMT2A
SCHEMBL21510652 0.88 KDM4E (0.39) CA1CA2KDM4EALDH1A1PDK2
SCHEMBL21692360 0.84 ADORA2A (0.34) CA1CA2KDM4EALDH1A1KMT2A
SCHEMBL21691368 0.84 ALDH1A1 (0.37) CA1CA2KDM4EALDH1A1PDK2
SCHEMBL21692435 0.83 ALOX5 (0.44) CA1CA2KDM4EALDH1A1LMNA
SCHEMBL21692047 0.83 ADORA2A (0.36) CA1CA2KDM4EALDH1A1PDK2
SCHEMBL21692043 0.82 ADORA2A (0.35) CA1CA2KDM4EALDH1A1PDK2
SCHEMBL19537979 0.81 CA1 (0.44) CA1CA2KDM4EALDH1A1KMT2A
SCHEMBL30892322 0.81 CA1 (0.44) CA1CA2KDM4EALDH1A1KMT2A

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-10644249-B2 Composition of matter for use in organic light-emitting diodes KYULUX, INC. (JP) 2020-05-05 — — US disclosed
US-20190267554-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES Kyulux North America, Inc. 2019-08-29 — — 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 (2 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-10644249-B2 Composition of matter for use in organic light-emitting diodes NDUFV3, SLCO1B3, CRY2 CA1 2847/4885CA2 2781/4885KDM4E 4444/4885
US-20190267554-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES NDUFV3, SLCO1B3, CRY2 CA1 2847/4885CA2 2781/4885KDM4E 4444/4885

“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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