SCHEMBL31037693

SCHEMBL31037693

Cc1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c(-n2c3ccccc3c3cc(C)ccc32)c(-n2c3ccccc3c3cc(C)ccc32)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.34
MAPT P10636 7/20 0.34
MEN1 O00255 6/20 0.34
KMT2A Q03164 6/20 0.34
KDM4E B2RXH2 6/20 0.34
NPSR1 Q6W5P4 4/20 0.34
LMNA P02545 2/20 0.34
RECQL P46063 1/20 0.34
HPGD P15428 7/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
THRB P10828 1/20 0.33
NTSR1 P30989 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSD17B10 Q99714 2/20 0.32
AGTR1 P30556 1/20 0.32
CYP1A1 P04798 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP1B1 Q16678 1/20 0.31
FLT3 P36888 1/20 0.31

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
SCHEMBL23855823 1.00 ALDH1A1 (0.34) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL23855833 0.91 MAPT (0.33) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL31037685 0.91 MAPT (0.33) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL23855892 0.89 ABCG2 (0.33) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL31037710 0.89 ABCG2 (0.33) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL30709601 0.88 ALDH1A1 (0.37) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL23855910 0.87 L3MBTL1 (0.33) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL31037673 0.87 L3MBTL1 (0.33) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL30709606 0.87 ALDH1A1 (0.38) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL21888576 0.84 MEN1 (0.39) ALDH1A1MAPTMEN1KMT2AKDM4E

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-12029116-B2 Composition of matter for use in organic light-emitting diodes KYULUX, INC. (JP) 2024-07-02 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-12029116-B2 Composition of matter for use in organic light-emitting diodes OPRD1, DRD1, DRD3 ALDH1A1 812/4885MAPT 600/4885MEN1 3613/4885

“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.