SCHEMBL21758233

SCHEMBL21758233

Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)cc2-c2ncccc2-n2c3ccccc3c3cc(-c4ccc(C)cc4)ccc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.37
MAPKAPK2 P49137 1/20 0.37
TDO2 P48775 2/20 0.34
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
ELANE P08246 1/20 0.33
IDO1 P14902 1/20 0.33
HRH1 P35367 1/20 0.33
HTR6 P50406 1/20 0.33
NPY5R Q15761 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
SMO Q99835 1/20 0.32
COMT P21964 1/20 0.32
AKT1 P31749 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32

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
SCHEMBL21758517 0.94 TDO2 (0.38) PTGER4MAPKAPK2TDO2DDB1CRBN
SCHEMBL21758615 0.93 PTGER4 (0.37) PTGER4MAPKAPK2TDO2DDB1CRBN
SCHEMBL21758351 0.93 TDO2 (0.36) PTGER4TDO2DDB1CRBNHRH1
SCHEMBL21758234 0.92 ELANE (0.39) PTGER4TDO2DDB1CRBNTNKS2
SCHEMBL21758187 0.92 IDO1 (0.37) PTGER4TDO2DDB1CRBNTNKS2
SCHEMBL21758597 0.90 PTGER4 (0.36) PTGER4DDB1CRBNTNKS2ELANE
SCHEMBL21758520 0.90 GRM5 (0.35) PTGER4TDO2DDB1CRBNTNKS2
SCHEMBL21758237 0.90 TDO2 (0.40) TDO2ELANE
SCHEMBL21758359 0.90 GABRA1 (0.36) TDO2DDB1CRBNEGLN1
SCHEMBL21758511 0.90 MAP4K4 (0.36) MAPKAPK2TDO2DDB1CRBN

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 PTGER4 1728/4885MAPKAPK2 4299/4885TDO2 89/4885

“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.