SCHEMBL21928484

SCHEMBL21928484

Cc1cc(C)cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(C)c4)ccc2n3-c2cc(-c3ccccc3C#N)c(-n3c4ccc(-c5cc(C)cc(C)c5)cc4c4cc(-c5cc(C)cc(C)c5)ccc43)cn2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
CYP1A2 P05177 6/20 0.36
CYP3A4 P08684 6/20 0.36
ALDH1A1 P00352 4/20 0.36
HSD17B10 Q99714 4/20 0.36
HPGD P15428 4/20 0.36
MAPK1 P28482 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
GABRA1 P14867 5/20 0.36
GABRG2 P18507 5/20 0.36
GABRB3 P28472 5/20 0.36
GABRA2 P47869 4/20 0.36
GABRA5 P31644 3/20 0.36
GABRA3 P34903 3/20 0.36
KDM4E B2RXH2 4/20 0.35
NR3C1 P04150 1/20 0.35
TP53 P04637 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL21928638 0.97 GRIN1 (0.38) GRIN1GRIN2BCYP1A2CYP3A4ALDH1A1
SCHEMBL21929080 0.93 GABRA1 (0.42) CYP1A2CYP3A4ALDH1A1HSD17B10HPGD
SCHEMBL21928629 0.93 GRIN1 (0.41) GRIN1GRIN2BCYP1A2CYP3A4ALDH1A1
SCHEMBL21928646 0.93 CYP1A2 (0.37) CYP1A2CYP3A4ALDH1A1HSD17B10HPGD
SCHEMBL21928637 0.92 GRIN1 (0.39) GRIN1GRIN2BCYP1A2CYP3A4ALDH1A1
SCHEMBL21929067 0.91 NR3C1 (0.36) GRIN1GRIN2BCYP1A2CYP3A4ALDH1A1
SCHEMBL21929075 0.90 GABRA1 (0.40) CYP1A2CYP3A4ALDH1A1HSD17B10HPGD
SCHEMBL21928999 0.89 GABRG2 (0.39) CYP1A2CYP3A4ALDH1A1HSD17B10HPGD
SCHEMBL21928490 0.89 NR3C1 (0.43) CYP1A2CYP3A4ALDH1A1HSD17B10HPGD
SCHEMBL21928655 0.88 CYP1A2 (0.36) GRIN1GRIN2BCYP1A2CYP3A4ALDH1A1

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-20220388960-A1 ORGANIC MOLECULES FOR USE IN LIGHT-EMITTING DEVICES CYNORA GMBH (DE) 2022-12-08 US disclosed
US-20200136054-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-04-30 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-20200136054-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, OGFR, OR51E2 GRIN1 1963/4885GRIN2B 766/4885CYP1A2 353/4885
US-20220388960-A1 ORGANIC MOLECULES FOR USE IN LIGHT-EMITTING DEVICES ALDH1A2, AOX1, CYBA GRIN1 1178/4885GRIN2B 290/4885CYP1A2 24/4885

“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.