SCHEMBL21758710

SCHEMBL21758710

N#Cc1ccc(-c2cnccc2-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.34
CYP11B2 P19099 6/20 0.34
CYP11B1 P15538 4/20 0.34
SLC22A12 Q96S37 1/20 0.34
CHUK O15111 1/20 0.33
PTGER4 P35408 2/20 0.32
TNKS2 Q9H2K2 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
KDM1A O60341 1/20 0.32
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
FLT3 P36888 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
RORC P51449 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
SCHEMBL21758709 1.00 CYP19A1 (0.34) CYP19A1CYP11B2CYP11B1SLC22A12CHUK
SCHEMBL21758177 0.93 CYP19A1 (0.36) CYP19A1CYP11B2CYP11B1SLC22A12CHUK
SCHEMBL21758176 0.93 CYP19A1 (0.36) CYP19A1CYP11B2CYP11B1SLC22A12CHUK
SCHEMBL21758474 0.93 CHUK (0.38) CYP19A1CYP11B2CYP11B1SLC22A12CHUK
SCHEMBL21396782 0.92 CYP11B2 (0.38) CYP19A1CYP11B2CYP11B1SLC22A12CHUK
SCHEMBL21758716 0.89 KDM4E (0.38) CYP19A1CYP11B2CYP11B1SLC22A12CHUK
SCHEMBL21758159 0.88 CYP11B2 (0.37) CYP11B2CYP11B1SLC22A12CHUKPTGER4
SCHEMBL21758488 0.88 CYP11B2 (0.39) CYP11B2CYP11B1SLC22A12PTGER4FLT3
SCHEMBL21758338 0.88 CYP19A1 (0.35) CYP19A1CYP11B2CYP11B1CHUKPTGER4
SCHEMBL26304893 0.87 KDM4E (0.36) PTGER4KDM1AKDM4EATML3MBTL1

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 CYP19A1 2762/4885CYP11B2 1243/4885CYP11B1 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.