SCHEMBL21758727

SCHEMBL21758727

Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4C)ccc2n3-c2ccc(C#N)cc2-c2ncccc2-n2c3ccc(-c4ccc(C)cc4C)cc3c3cc(-c4ccc(C)cc4C)ccc32)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.37
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
ELANE P08246 1/20 0.35
KDM1A O60341 1/20 0.33
PDE4A P27815 2/20 0.33
EGLN2 Q96KS0 3/20 0.33
IDO1 P14902 1/20 0.33
SMO Q99835 1/20 0.32
NSD2 O96028 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
TGFBR1 P36897 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
MAPKAPK2 P49137 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
SCHEMBL21758598 0.90 SMO (0.35) KCNH2CYP11B1CYP11B2ELANEKDM1A
SCHEMBL21758191 0.90 IDO1 (0.37) ELANEPDE4AIDO1SMOTNKS2
SCHEMBL21758232 0.87 PTGER4 (0.37) KCNH2CYP11B1CYP11B2ELANEPDE4A
SCHEMBL21758728 0.87 GRM5 (0.35) CYP11B1CYP11B2ELANEPDE4AEGLN2
SCHEMBL21758597 0.87 PTGER4 (0.36) KCNH2CYP11B1CYP11B2ELANEPDE4A
SCHEMBL21758233 0.86 PTGER4 (0.37) ELANEIDO1SMOTNKS2DDB1
SCHEMBL21758187 0.86 IDO1 (0.37) ELANEPDE4AIDO1SMOTNKS2
SCHEMBL21758512 0.86 STS (0.34) KCNH2CYP11B2ELANEDDB1CRBN
SCHEMBL21758511 0.85 MAP4K4 (0.36) CYP11B1CYP11B2DDB1CRBNMAPKAPK2
SCHEMBL21758230 0.84 DDB1 (0.40) CYP11B2ELANEPDE4ASMODDB1

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 KCNH2 1742/4885CYP11B1 1224/4885CYP11B2 1243/4885

“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.