SCHEMBL29914873

SCHEMBL29914873

N#Cc1cc(C#N)c(C#N)c(-c2ccc(-c3ccccc3)cc2)c1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.46
ALDH1A1 P00352 8/20 0.45
KDM4E B2RXH2 4/20 0.45
HSD17B10 Q99714 3/20 0.45
ALOX15 P16050 2/20 0.45
MAPT P10636 1/20 0.45
ADORA1 P30542 1/20 0.44
HPGD P15428 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GRIA4 P48058 4/20 0.43
GRIA2 P42262 2/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
HTT P42858 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL16984847 0.96 ALDH1A1 (0.47) MCL1ALDH1A1KDM4EHSD17B10ALOX15
SCHEMBL29914908 0.90 ALDH1A1 (0.42) MCL1ALDH1A1KDM4EHSD17B10ALOX15
SCHEMBL22609642 0.81 ALDH1A1 (0.52) MCL1ALDH1A1KDM4EHSD17B10ALOX15
SCHEMBL16984845 0.80 ALDH1A1 (0.55) ALDH1A1KDM4EHSD17B10ALOX15MAPT
SCHEMBL12681373 0.80 ALDH1A1 (0.55) ALDH1A1KDM4EHSD17B10ALOX15MAPT
SCHEMBL29914867 0.79 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10ALOX15MAPT
SCHEMBL27909136 0.79 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10ALOX15MAPT
SCHEMBL1034013 0.78 ALDH1A1 (0.53) ALDH1A1KDM4EHSD17B10ALOX15MAPT
SCHEMBL5012665 0.78 PDE9A (0.46) ALDH1A1KDM4EHSD17B10ALOX15MAPT
SCHEMBL30788712 0.76 L3MBTL1 (0.42) MCL1ALDH1A1KDM4EHSD17B10ALOX15

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-11444250-B2 Composition of matter for use in organic light-emitting diodes KYULUX, INC. (JP) 2022-09-13 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-11444250-B2 Composition of matter for use in organic light-emitting diodes CRY2, ALDH1A2, CYBA MCL1 2186/4885ALDH1A1 60/4885KDM4E 4374/4885

“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.