SCHEMBL29996375

SCHEMBL29996375

Cc1ccc(-c2c(-n3c4ccccc4c4cc(C(C)(C)C)ccc43)c(-c3ccncc3)c(-n3c4ccccc4c4cc(C(C)(C)C)ccc43)c(-n3c4ccccc4c4cc(C(C)(C)C)ccc43)c2-n2c3ccccc3c3cc(C(C)(C)C)ccc32)c(C)n1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.33
MAPK14 Q16539 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL29996281 0.87 MAPK14 (0.38) MAPK14ALDH1A1
SCHEMBL21421157 0.87 PIK3CA (0.35) MAPK14ALDH1A1MAPTNPSR1
SCHEMBL29997097 0.87 KIF11 (0.36) KIF11MAPK14ALDH1A1MAPTMAPK1
SCHEMBL29996510 0.85 TGFBR1 (0.37) KIF11MAPK14ALDH1A1MAPTMAPK1
SCHEMBL29996877 0.85 MAOA (0.36) MAPK14
SCHEMBL29997225 0.84 ABCG2 (0.34) ALDH1A1MAPTNPSR1
SCHEMBL31272522 0.82 KDM4E (0.32) ALDH1A1MAPTNPSR1
SCHEMBL31273148 0.81 KDM4E (0.32) ALDH1A1MAPTNPSR1
SCHEMBL21420954 0.81 KIF11 (0.38) KIF11MAPK14ALDH1A1MAPTMAPK1
SCHEMBL29997174 0.81 ABCG2 (0.38) KIF11MAPK14ALDH1A1MAPTMAPK1

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-11498914-B2 Composition of matter for use in organic light-emitting diodes KYULUX, INC. (JP) 2022-11-15 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-11498914-B2 Composition of matter for use in organic light-emitting diodes CRY2, SLCO1B3, NDUFV3 KIF11 3380/4885MAPK14 4784/4885ALDH1A1 242/4885

“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.