SCHEMBL21758627

SCHEMBL21758627

N#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4)ccc2n3-c2ccc(C#N)c(-c3cnccc3-n3c4ccc(-c5ccc(C#N)cc5)cc4c4cc(-c5ccc(C#N)cc5)ccc43)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.37
CYP19A1 P11511 1/20 0.36
CYP11B2 P19099 5/20 0.36
CYP11B1 P15538 3/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
SLC22A12 Q96S37 5/20 0.34
FLT3 P36888 2/20 0.32
CYP17A1 P05093 1/20 0.32
CHUK O15111 1/20 0.32
MAP4K1 Q92918 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
MAP4K4 O95819 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
SCHEMBL21758622 0.95 SLC22A12 (0.37) PGRCYP19A1CYP11B2CYP11B1SLC22A12
SCHEMBL21758593 0.93 CYP11B2 (0.34) PGRCYP19A1CYP11B2CYP11B1
SCHEMBL21758245 0.92 ALDH1A1 (0.39) CYP19A1CYP11B2CYP11B1SLC22A12
SCHEMBL21758557 0.91 CHUK (0.40) CYP19A1CYP11B2CYP11B1SLC22A12CHUK
SCHEMBL21758623 0.91 CYP11B1 (0.38) CYP19A1CYP11B2CYP11B1SLC22A12FLT3
SCHEMBL21758259 0.91 NEK1 (0.39) CYP11B2CYP11B1SLC22A12CYP17A1MAP4K4
SCHEMBL21758588 0.91 CYP11B2 (0.32) CYP19A1CYP11B2CYP11B1
SCHEMBL21758256 0.89 ALDH1A1 (0.37) CYP19A1CYP11B2CYP11B1SLC22A12
SCHEMBL21758586 0.88 CYP11B1 (0.33) PGRCYP19A1CYP11B2CYP11B1SLC22A12
SCHEMBL21758252 0.87 NR3C1 (0.43) CYP19A1CYP11B2CYP11B1

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 PGR 893/4885CYP19A1 2762/4885CYP11B2 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.