SCHEMBL21546984

SCHEMBL21546984

Cc1cc(C)cc(-c2ccc3c4ccc(-c5cc(C)cc(C)c5)cc4n(-c4cc(C#N)cc(-n5c6cc(-c7cc(C)cc(C)c7)ccc6c6ccc(-c7cc(C)cc(C)c7)cc65)c4-c4cccc(C#N)c4)c3c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.37
SYK P43405 1/20 0.36
ALDH1A3 P47895 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA4 P48058 1/20 0.36
PGR P06401 4/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP1A2 P05177 3/20 0.36
CLK4 Q9HAZ1 3/20 0.36
CYP3A4 P08684 2/20 0.36
AR P10275 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
MAP4K4 O95819 1/20 0.35
XDH P47989 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
TGFBR1 P36897 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
KMT2A Q03164 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL22760890 0.96 ALDH1A3 (0.36) GRM5SYKALDH1A3GRIA2GRIA4
SCHEMBL21546620 0.92 CYP1A2 (0.39) GRM5SYKALDH1A3GRIA2GRIA4
SCHEMBL21546479 0.92 GRIA2 (0.39) ALDH1A3GRIA2GRIA4PGRALDH1A1
SCHEMBL21546786 0.91 MAP4K4 (0.39) ALDH1A3GRIA2GRIA4PGRALDH1A1
SCHEMBL21546746 0.91 MAP4K4 (0.40) ALDH1A3GRIA2GRIA4PGRALDH1A1
SCHEMBL21546943 0.91 TGFBR1 (0.34) ALDH1A3GRIA2GRIA4PGRALDH1A1
SCHEMBL19912484 0.90 AR (0.39) GRM5GRIA2GRIA4ALDH1A1CYP1A2
SCHEMBL21414253 0.90 GRM5 (0.37) GRM5PGRALDH1A1
SCHEMBL23097991 0.90 IRAK4 (0.39) GRM5SYKALDH1A3ALDH1A1CYP1A2
SCHEMBL22760889 0.90 ALDH1A3 (0.37) GRM5SYKALDH1A3GRIA2GRIA4

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 GRM5 3532/4885SYK 1131/4885ALDH1A3 39/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM GRM5 3532/4885SYK 1131/4885ALDH1A3 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.