SCHEMBL21758728

SCHEMBL21758728

Cc1cc(C)cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(C)c4)ccc2n3-c2ccc(C#N)cc2-c2ncccc2-n2c3ccc(-c4cc(C)cc(C)c4)cc3c3cc(-c4cc(C)cc(C)c4)ccc32)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.35
TNKS2 Q9H2K2 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
ELANE P08246 1/20 0.32
SMO Q99835 1/20 0.32
EGLN2 Q96KS0 1/20 0.32
CYP17A1 P05093 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
PTGER4 P35408 1/20 0.32
SYK P43405 1/20 0.32
SQOR Q9Y6N5 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31

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
SCHEMBL21758615 0.96 PTGER4 (0.37) GRM5TNKS2DDB1CRBNMAPKAPK2
SCHEMBL21758598 0.91 SMO (0.35) GRM5TNKS2DDB1CRBNELANE
SCHEMBL21758514 0.90 GRM5 (0.35) GRM5DDB1CRBNCYP17A1CYP11B1
SCHEMBL21758511 0.90 MAP4K4 (0.36) DDB1CRBNMAPKAPK2CYP17A1CYP11B1
SCHEMBL21758234 0.89 ELANE (0.39) GRM5TNKS2DDB1CRBNELANE
SCHEMBL21758233 0.89 PTGER4 (0.37) TNKS2DDB1CRBNMAPKAPK2ELANE
SCHEMBL21758238 0.88 CLK4 (0.43) GRM5
SCHEMBL21758359 0.88 GABRA1 (0.36) GRM5DDB1CRBNCYP17A1CYP11B1
SCHEMBL21758191 0.88 IDO1 (0.37) GRM5TNKS2DDB1CRBNELANE
SCHEMBL21758230 0.87 DDB1 (0.40) GRM5DDB1CRBNELANESMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200062734-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-02-27 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 (1 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-20200062734-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OXER1, OR10J3, OXGR1 GRM5 3349/4885TNKS2 3367/4885DDB1 2347/4885

“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.