SCHEMBL21131406

SCHEMBL21131406

Cc1ccc(-c2ccc3c4ccccc4n(-c4ccc(C#N)c(-c5cc(-n6c7ccccc7c7ccc(-c8ccc(C)cc8C)cc76)ccc5C#N)c4)c3c2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
HPGD P15428 5/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AR P10275 1/20 0.37
NR3C1 P04150 1/20 0.34
KDM4E B2RXH2 4/20 0.32
GAA P10253 4/20 0.32
GLA P06280 2/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
CASP1 P29466 1/20 0.32
RECQL P46063 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PDE9A O76083 1/20 0.32
PDE1C Q14123 1/20 0.32
IMPDH2 P12268 1/20 0.32
GRIN1 Q05586 1/20 0.32

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
SCHEMBL21131407 0.94 ALDH1A1 (0.36) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL21131409 0.93 AR (0.37) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL21116368 0.92 ALDH1A1 (0.39) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL20923756 0.91 LMNA (0.36) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL20156280 0.90 ALDH1A1 (0.35) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL21131397 0.90 AR (0.47) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL21131576 0.88 ALDH1A1 (0.39) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL23798858 0.88 AR (0.38) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL23253596 0.87 NSD2 (0.31) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL21132058 0.87 AR (0.35) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2

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-11380849-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2022-07-05 US disclosed
US-20190198778-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-06-27 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 (2 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-11380849-B2 Organic molecules for use in optoelectronic devices OR10J3, NOX3, ORC3 ALDH1A1 2468/4885HPGD 2992/4885LMNA 3331/4885
US-20190198778-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES ORC3, OR10J3, NOX3 ALDH1A1 2353/4885HPGD 3234/4885LMNA 3142/4885

“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.