SCHEMBL21758264

SCHEMBL21758264

Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4C)ccc2n3-c2ccc(C#N)c(-c3cnccc3-n3c4ccc(-c5ccc(C)cc5C)cc4c4cc(-c5ccc(C)cc5C)ccc43)c2)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.37
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 3/20 0.36
PRKCQ Q04759 1/20 0.34
NR3C1 P04150 1/20 0.32
PRMT5 O14744 3/20 0.32
WDR77 Q9BQA1 3/20 0.32
TBK1 Q9UHD2 2/20 0.32
ELANE P08246 2/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
SLC22A12 Q96S37 2/20 0.31
PDE2A O00408 1/20 0.30
PDE1A P54750 1/20 0.30
PDE1B Q01064 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE1C Q14123 1/20 0.30
PDE3A Q14432 1/20 0.30

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
SCHEMBL21758257 0.95 ABL1 (0.34) ABL1CYP11B1CYP11B2PRKCQNR3C1
SCHEMBL21758249 0.90 ABL1 (0.36) ABL1CYP11B1CYP11B2NR3C1TBK1
SCHEMBL21758576 0.90 ELANE (0.35) ABL1ELANESLC22A12PDE3BPDE3A
SCHEMBL21132058 0.88 AR (0.35) PRKCQNR3C1PRMT5WDR77TBK1
SCHEMBL21758611 0.87 AR (0.38) ABL1CYP11B1CYP11B2NR3C1
SCHEMBL21758246 0.86 ABL1 (0.33) ABL1CYP11B1CYP11B2NR3C1ELANE
SCHEMBL21758599 0.86 NPY5R (0.34) CYP11B1CYP11B2NR3C1PRMT5WDR77
SCHEMBL21758575 0.85 SLC22A12 (0.35) ELANESLC22A12
SCHEMBL21758252 0.85 NR3C1 (0.43) CYP11B1CYP11B2NR3C1
SCHEMBL21758623 0.84 CYP11B1 (0.38) CYP11B1CYP11B2NR3C1PRMT5WDR77

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 ABL1 2452/4885CYP11B1 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.