SCHEMBL21116368

SCHEMBL21116368

Cc1ccc(-c2ccc3c4ccccc4n(-c4ccc(-c5ccc(-n6c7ccccc7c7ccc(-c8ccc(C)cc8C)cc76)cc5C#N)c(C#N)c4)c3c2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
HPGD P15428 5/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GRM2 Q14416 1/20 0.36
AR P10275 1/20 0.35
KDM4E B2RXH2 5/20 0.33
GAA P10253 4/20 0.33
GLA P06280 2/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
CASP1 P29466 1/20 0.33
RECQL P46063 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PDE9A O76083 1/20 0.33
PDE1C Q14123 1/20 0.33
IMPDH2 P12268 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33

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
SCHEMBL21116369 0.94 LMNA (0.37) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL21116195 0.93 GRM2 (0.36) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL21131406 0.92 ALDH1A1 (0.38) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL21116216 0.91 AR (0.44) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL20156281 0.90 ALDH1A1 (0.36) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL21116192 0.89 GRM2 (0.41) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL21116167 0.87 ALDH1A1 (0.42) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL21116213 0.87 AR (0.47) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL21116196 0.87 ALDH1A1 (0.35) ALDH1A1HPGDLMNAMAPK1SMN1; SMN2
SCHEMBL23798858 0.86 AR (0.38) 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-11271174-B2 Organic molecules for use in organic optoelectronic devices CYNORA GMBH (DE) 2022-03-08 US disclosed
US-20190198779-A1 ORGANIC MOLECULES FOR USE IN ORGANIC 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-20190198779-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, NOX3 ALDH1A1 2170/4885HPGD 3190/4885LMNA 2745/4885
US-11271174-B2 Organic molecules for use in organic optoelectronic devices OR10J3, ORC3, NOX3 ALDH1A1 2201/4885HPGD 2857/4885LMNA 2311/4885

“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.