SCHEMBL21758232

SCHEMBL21758232

Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(C#N)cc1-c1ncccc1-n1c2ccccc2c2cc(-c3ccccc3C)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.37
KCNH2 Q12809 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
PDE4A P27815 1/20 0.34
SMO Q99835 1/20 0.34
SQOR Q9Y6N5 2/20 0.33
TDO2 P48775 2/20 0.33
EGLN1 Q9GZT9 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
AR P10275 1/20 0.33
ELANE P08246 1/20 0.33
CYP1A2 P05177 4/20 0.32
CYP3A4 P08684 4/20 0.32
CYP2C19 P33261 4/20 0.32
CLK4 Q9HAZ1 4/20 0.32
ALDH1A1 P00352 3/20 0.32
CYP2D6 P10635 3/20 0.32
CYP2C9 P11712 2/20 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
SCHEMBL21758597 0.90 PTGER4 (0.36) PTGER4KCNH2CYP11B1CYP11B2PDE4A
SCHEMBL21758235 0.89 CYP1A2 (0.37) PTGER4CYP11B2TDO2DDB1CRBN
SCHEMBL21758233 0.89 PTGER4 (0.37) PTGER4SMOTDO2EGLN1DDB1
SCHEMBL21758517 0.89 TDO2 (0.38) PTGER4CYP11B1CYP11B2TDO2DDB1
SCHEMBL18374379 0.89 PTGER4 (0.41) PTGER4CYP11B1CYP11B2ARCYP1A2
SCHEMBL21758615 0.89 PTGER4 (0.37) PTGER4PDE4ASQORTDO2DDB1
SCHEMBL21758351 0.88 TDO2 (0.36) PTGER4CYP11B1CYP11B2TDO2EGLN1
SCHEMBL21758229 0.88 DDB1 (0.40) PTGER4PDE4ATDO2DDB1CRBN
SCHEMBL21758520 0.87 GRM5 (0.35) PTGER4CYP11B1CYP11B2TDO2DDB1
SCHEMBL21758237 0.87 TDO2 (0.40) TDO2ELANECYP1A2CYP3A4CLK4

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 1728/4885KCNH2 1742/4885CYP11B1 1224/4885

“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.