SCHEMBL21758191

SCHEMBL21758191

Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(C#N)cc1-c1ncccc1-n1c2ccc(C)cc2c2cc(C)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.37
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
ELANE P08246 1/20 0.35
SMO Q99835 1/20 0.34
CASP3 P42574 1/20 0.33
PDE4A P27815 1/20 0.33
HRH1 P35367 1/20 0.32
HTR6 P50406 1/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
TGFBR1 P36897 1/20 0.32
ITK Q08881 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
PDE4B Q07343 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 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
SCHEMBL21758187 0.96 IDO1 (0.37) IDO1DDB1CRBNELANESMO
SCHEMBL21758230 0.92 DDB1 (0.40) DDB1CRBNELANESMOCASP3
SCHEMBL21758727 0.90 KCNH2 (0.37) IDO1DDB1CRBNELANESMO
SCHEMBL21758728 0.88 GRM5 (0.35) DDB1CRBNELANESMOPDE4A
SCHEMBL21758233 0.88 PTGER4 (0.37) IDO1DDB1CRBNELANESMO
SCHEMBL21758598 0.87 SMO (0.35) DDB1CRBNELANESMOPDE4A
SCHEMBL21758229 0.87 DDB1 (0.40) DDB1CRBNCASP3PDE4AHRH1
SCHEMBL21396915 0.86 IDO1 (0.37) IDO1DDB1CRBNELANECASP3
SCHEMBL21758511 0.86 MAP4K4 (0.36) DDB1CRBN
SCHEMBL21397011 0.85 PTGER4 (0.36) IDO1DDB1CRBNELANECASP3

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
EP-3638749-B1 ORGANIC MOLECULE, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2021-05-19 EP disclosed
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 IDO1 725/4885DDB1 2347/4885CRBN 444/4885

“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.