SCHEMBL21758722

SCHEMBL21758722

Cc1cc(C)cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(C)c4)ccc2n3-c2ccc(C#N)cc2-c2ccncc2-n2c3ccc(-c4cc(C)cc(C)c4)cc3c3cc(-c4cc(C)cc(C)c4)ccc32)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.40
CYP11B1 P15538 2/20 0.40
CYP17A1 P05093 1/20 0.35
FLT3 P36888 4/20 0.33
CHUK O15111 1/20 0.33
SLC22A12 Q96S37 2/20 0.32
GRM5 P41594 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
KCNH2 Q12809 2/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
MAPKAPK2 P49137 1/20 0.32
CASP3 P42574 1/20 0.32
SSTR2 P30874 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 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
SCHEMBL21758184 0.95 PTGER4 (0.37) CYP11B2CYP11B1CYP17A1FLT3GRM5
SCHEMBL21758688 0.94 CYP11B2 (0.40) CYP11B2CYP11B1CYP17A1FLT3CHUK
SCHEMBL21758504 0.92 CYP11B2 (0.44) CYP11B2CYP11B1CYP17A1FLT3CHUK
SCHEMBL21758179 0.90 CYP11B2 (0.45) CYP11B2CYP11B1CYP17A1FLT3CHUK
SCHEMBL21758165 0.90 CYP11B2 (0.38) CYP11B2CYP11B1CYP17A1FLT3CHUK
SCHEMBL21758578 0.90 CYP11B2 (0.40) CYP11B2CYP11B1CYP17A1FLT3CHUK
SCHEMBL21758693 0.89 PTGER4 (0.37) CYP11B2CYP11B1CYP17A1FLT3GRM5
SCHEMBL21758706 0.88 CYP11B2 (0.42) CYP11B2CYP11B1CYP17A1FLT3CHUK
SCHEMBL23368259 0.88 PTGER4 (0.39) CYP11B2CYP11B1CYP17A1FLT3
SCHEMBL21758567 0.88 PTGER4 (0.38) CYP11B2CYP11B1CYP17A1FLT3TNKS2

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 CYP11B2 1243/4885CYP11B1 1224/4885CYP17A1 1803/4885

“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.