SCHEMBL22062719

SCHEMBL22062719

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc2c3c(c1)n1c4ccccc4nc1n3c1nc3ccccc3n21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 4/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
ADORA2A P29274 1/20 0.34
POLB P06746 2/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PGR P06401 1/20 0.32
RORA P35398 1/20 0.32
RORC P51449 1/20 0.32
RORB Q92753 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
KIF11 P52732 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
SCHEMBL22088273 0.88 ALDH1A1 (0.34) ALDH1A1LMNATP53SMN1; SMN2ADORA2A
SCHEMBL22939683 0.84 KDM4E (0.42) ALDH1A1LMNATP53SMN1; SMN2ADORA2A
SCHEMBL22062846 0.83 ALDH1A1 (0.43) ALDH1A1LMNATP53SMN1; SMN2ADORA2A
SCHEMBL23763598 0.82 LMNA (0.34) ALDH1A1LMNATP53SMN1; SMN2ADORA2A
SCHEMBL22088275 0.80 KDM4E (0.31) ALDH1A1LMNAKDM4EKIF11
SCHEMBL23763499 0.80 ALDH1A1 (0.39) ALDH1A1LMNATP53SMN1; SMN2ADORA2A
SCHEMBL22062565 0.79 PDE2A (0.34) ALDH1A1LMNATP53SMN1; SMN2ADORA2A
SCHEMBL22063192 0.78 ALDH1A1 (0.39) ALDH1A1LMNATP53SMN1; SMN2ADORA2A
SCHEMBL22062707 0.78 KIF11 (0.42) ALDH1A1LMNATP53SMN1; SMN2ADORA2A
SCHEMBL22939204 0.77 KDM4E (0.35) ALDH1A1LMNATP53SMN1; SMN2ADORA2A

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 ALDH1A1 1970/4885LMNA 1641/4885TP53 4214/4885

“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.