SCHEMBL23855892

SCHEMBL23855892

CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c(-n2c3ccccc3c3cc(C(C)(C)C)ccc32)c(-n2c3ccccc3c3cc(C(C)(C)C)ccc32)n1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.33
MEN1 O00255 6/20 0.33
KMT2A Q03164 6/20 0.33
RAB9A P51151 1/20 0.33
TP53 P04637 3/20 0.32
HPGD P15428 5/20 0.31
ALDH1A1 P00352 4/20 0.31
MAPT P10636 4/20 0.31
KDM4E B2RXH2 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
CYP2C19 P33261 1/20 0.31
NTSR1 P30989 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TRPV1 Q8NER1 1/20 0.30
GBA1 P04062 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
SCHEMBL31037710 1.00 ABCG2 (0.33) ABCG2MEN1KMT2ARAB9ATP53
SCHEMBL31037697 0.91 TP53 (0.36) ABCG2MEN1KMT2ARAB9ATP53
SCHEMBL23855846 0.91 TP53 (0.36) ABCG2MEN1KMT2ARAB9ATP53
SCHEMBL23855823 0.89 ALDH1A1 (0.34) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL31037693 0.89 ALDH1A1 (0.34) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL30709642 0.83 ABCG2 (0.36) ABCG2MEN1KMT2ARAB9ATP53
SCHEMBL21888576 0.82 MEN1 (0.39) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL23914547 0.81 ABCG2 (0.38) ABCG2MEN1KMT2ARAB9ATP53
SCHEMBL23914548 0.81 ABCG2 (0.38) ABCG2MEN1KMT2ARAB9ATP53
SCHEMBL26292529 0.80 MEN1 (0.40) ABCG2MEN1KMT2ARAB9ATP53

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-20210305517-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES KYULUX, INC. (JP) 2021-09-30 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-20210305517-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES OPRD1, DRD1, DRD3 ABCG2 2195/4885MEN1 3613/4885KMT2A 2610/4885

“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.