SCHEMBL22823944

SCHEMBL22823944

N#Cc1ccc(-c2c3cc4c(cc3c(-c3ccc(C#N)cc3C#N)c3c5cccc6cccc(c23)c65)c2cccc3cccc4c32)c(C#N)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
STS P08842 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
STK10 O94804 1/20 0.32
SLK Q9H2G2 1/20 0.32
CYP19A1 P11511 1/20 0.32
MCL1 Q07820 2/20 0.32
CLK1 P49759 1/20 0.31
DYRK1A Q13627 1/20 0.31
AR P10275 1/20 0.31
IMPDH2 P12268 1/20 0.30
IMPDH1 P20839 1/20 0.30
ELANE P08246 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL23081548 0.90 CA1 (0.39) CA1CA2STSALDH1A1KDM4E
SCHEMBL22823945 0.89 CA1 (0.38) CA1CA2ALDH1A1KDM4EHPGD
SCHEMBL23081323 0.89 CA1 (0.37) CA1CA2STSALDH1A1KDM4E
SCHEMBL23081331 0.87 DPP4 (0.32) CA1CA2ALDH1A1LMNACYP19A1
SCHEMBL22823946 0.84 CA1 (0.36) CA1CA2ALDH1A1KDM4EHPGD
SCHEMBL23081523 0.84 CA1 (0.42) CA1CA2ALDH1A1KDM4EHPGD
SCHEMBL22824050 0.82 MEN1 (0.36) CA1CA2STSALDH1A1KDM4E
SCHEMBL23081547 0.80 CA1 (0.38) CA1CA2ALDH1A1HPGDMCL1
SCHEMBL22823943 0.79 CA1 (0.42) CA1CA2ALDH1A1KDM4EHPGD
SCHEMBL23081250 0.78 CYP1A2 (0.35) CA1CA2ALDH1A1KDM4EHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210070677-A1 ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING ELEMENT, DISPLAY APPARATUS, PHOTOELECTRIC CONVERSION APPARATUS, ELECTRONIC APPARATUS, LIGHTING APPARATUS, MOVING OBJECT, AND EXPOSURE LIGHT SOURCE CANON KABUSHIKI KAISHA (JP) 2021-03-11 US disclosed
US-20200403173-A1 ORGANIC LIGHT EMITTING ELEMENT, AND DISPLAY APPARATUS, IMAGE PICKUP APPARATUS, ILLUMINATION APPARATUS, AND MOVING OBJECT INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2020-12-24 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-20210070677-A1 ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING ELEMENT, DISPLAY APPARATUS, PHOTOELECTRIC CONVERSION APPARATUS, ELECTRONIC APPARATUS, LIGHTING APPARATUS, MOVING OBJECT, AND EXPOSURE LIGHT SOURCE CYP1A1, AOX1, CYP1B1 CA1 3166/4885CA2 3158/4885STS 4068/4885

“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.