SCHEMBL22062707

SCHEMBL22062707

CC(C)(C)c1cccc(-c2cc3c4c(c2)n2c5ccccc5nc2n4c2nc4ccccc4n32)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.42
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
HPGD P15428 2/20 0.36
RXRA P19793 2/20 0.36
RXRB P28702 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
ADORA2A P29274 1/20 0.35
PTAFR P25105 1/20 0.35
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TYMS P04818 1/20 0.34
TP53 P04637 4/20 0.34
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.33

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
SCHEMBL22063192 0.91 ALDH1A1 (0.39) ALDH1A1LMNAHPGDKDM4EADORA2A
SCHEMBL22087372 0.86 KIF11 (0.36) KIF11ALDH1A1LMNAABCG2HPGD
SCHEMBL22062846 0.85 ALDH1A1 (0.43) ALDH1A1LMNAHPGDKDM4EADORA2A
SCHEMBL22062533 0.84 ALDH1A1 (0.44) ALDH1A1LMNAHPGDKDM4EADORA2A
SCHEMBL22062709 0.83 TP53 (0.48) ALDH1A1HPGDKDM4EADORA2AMEN1
SCHEMBL22063194 0.82 ALDH1A1 (0.38) ALDH1A1LMNAHPGDKDM4EADORA2A
SCHEMBL22063050 0.81 ALDH1A1 (0.46) ALDH1A1LMNAHPGDKDM4EADORA2A
SCHEMBL22063202 0.81 KDM4E (0.46) ALDH1A1LMNAHPGDKDM4EADORA2A
SCHEMBL22062565 0.78 PDE2A (0.34) KIF11ALDH1A1LMNAHPGDKDM4E
SCHEMBL22063048 0.78 TP53 (0.41) ALDH1A1LMNAHPGDKDM4EMEN1

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-20200185620-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2020-06-11 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-20200185620-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE EMC2, NFE2L2, AOC2 KIF11 2094/4885ALDH1A1 1970/4885LMNA 1641/4885

“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.