SCHEMBL21396866

SCHEMBL21396866

CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1c(C#N)c(-n2c3ccccc3c3cc(C(C)(C)C)ccc32)c(-n2c3ccccc3c3cc(C(C)(C)C)ccc32)c(-c2ccccc2N)c1-n1c2ccccc2c2cc(C(C)(C)C)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 3/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CASP1 P29466 1/20 0.36
S1PR1 P21453 1/20 0.34
RORC P51449 5/20 0.33
MAPK1 P28482 2/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
HBB P68871 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DNMT1 P26358 3/20 0.32
PGR P06401 1/20 0.32
RORA P35398 1/20 0.32
RORB Q92753 1/20 0.32
KIF11 P52732 1/20 0.32
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
SCHEMBL21378044 0.88 RORC (0.33) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL25513355 0.87 KIF11 (0.40) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL22146610 0.86 KIF11 (0.39) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL22250882 0.86 KIF11 (0.39) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL29566175 0.86 KIF11 (0.39) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL21765767 0.86 KIF11 (0.39) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL20596390 0.84 HTR3A (0.38) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL21840873 0.84 HTR3A (0.38) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL22036391 0.84 NRP1 (0.39) KDM4EMAPTRORCPGRRORA
SCHEMBL25761447 0.84 HTR3A (0.38) ALDH1A1KDM4EMAPTHPGDHSD17B10

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-20190292181-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES Kyulux North America, Inc. 2019-09-26 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-20190292181-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, SLCO1B3, NDUFV3 ALDH1A1 242/4885KDM4E 4364/4885MAPT 112/4885

“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.