SCHEMBL21546824

SCHEMBL21546824

Cc1cc(C)c(-c2ccc3c4ccc(-c5c(C)cc(C)cc5C)cc4n(-c4cc(-c5cccc(C#N)c5)cc(-n5c6cc(-c7c(C)cc(C)cc7C)ccc6c6ccc(-c7c(C)cc(C)cc7C)cc65)c4C#N)c3c2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.36
GRIA4 P48058 1/20 0.36
ALDH1A3 P47895 1/20 0.34
PGR P06401 3/20 0.34
ALDH1A1 P00352 3/20 0.34
CYP1A2 P05177 3/20 0.34
CYP3A4 P08684 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
AR P10275 1/20 0.34
MAP4K4 O95819 2/20 0.34
PLG P00747 1/20 0.34
PLAU P00749 1/20 0.34
GSK3A P49840 1/20 0.34
CHEK1 O14757 1/20 0.34
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
NR1D1 P20393 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 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
SCHEMBL21546830 0.96 ALDH1A3 (0.34) GRIA2GRIA4ALDH1A3PGRALDH1A1
SCHEMBL21546832 0.92 GRIA2 (0.37) GRIA2GRIA4ALDH1A3PGRALDH1A1
SCHEMBL21414245 0.91 CHEK1 (0.32) PGRCHEK1
SCHEMBL22760924 0.91 SYK (0.37) GRIA2GRIA4ALDH1A3PGRALDH1A1
SCHEMBL21546823 0.90 PTGER4 (0.35) GRIA2GRIA4ALDH1A3PGRALDH1A1
SCHEMBL21546819 0.89 GRIA2 (0.39) GRIA2GRIA4ALDH1A3PGRALDH1A1
SCHEMBL21546791 0.89 CYP1A2 (0.39) GRIA2GRIA4ALDH1A3PGRALDH1A1
SCHEMBL21547016 0.88 MAP4K4 (0.40) GRIA2GRIA4ALDH1A3PGRALDH1A1
SCHEMBL21414241 0.88 PDE9A (0.36) PGRALDH1A1ARKDM4EHPGD
SCHEMBL21546943 0.87 TGFBR1 (0.34) GRIA2GRIA4ALDH1A3PGRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10981930-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-04-20 US disclosed
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-12-10 US disclosed
EP-3478793-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-11-06 EP 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-10981930-B2 Organic molecules for use in optoelectronic devices OR10J3, OR51E2, EPCAM GRIA2 1894/4885GRIA4 3116/4885ALDH1A3 39/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM GRIA2 1894/4885GRIA4 3116/4885ALDH1A3 39/4885

“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.