SCHEMBL21758183

SCHEMBL21758183

Cc1cc(C)c(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)cc2-c2ccncc2-n2c3ccccc3c3cc(-c4c(C)cc(C)cc4C)ccc32)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.41
CYP11B1 P15538 2/20 0.41
PTGER4 P35408 2/20 0.37
TNKS2 Q9H2K2 1/20 0.34
CYP17A1 P05093 1/20 0.34
FLT3 P36888 4/20 0.34
NPY5R Q15761 1/20 0.33
ALDH1A1 P00352 1/20 0.32
ATM Q13315 1/20 0.32
RORC P51449 1/20 0.32
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
CNR2 P34972 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
ABL1 P00519 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
SCHEMBL21758179 0.95 CYP11B2 (0.45) CYP11B2CYP11B1TNKS2CYP17A1FLT3
SCHEMBL21758691 0.94 CYP11B2 (0.41) CYP11B2CYP11B1PTGER4TNKS2CYP17A1
SCHEMBL21758184 0.91 PTGER4 (0.37) CYP11B2CYP11B1PTGER4TNKS2CYP17A1
SCHEMBL21758718 0.91 CYP11B2 (0.42) CYP11B2CYP11B1PTGER4TNKS2CYP17A1
SCHEMBL21758567 0.90 PTGER4 (0.38) CYP11B2CYP11B1PTGER4TNKS2CYP17A1
SCHEMBL21758561 0.90 CYP11B2 (0.43) CYP11B2CYP11B1PTGER4TNKS2CYP17A1
SCHEMBL21758566 0.89 CYP11B2 (0.44) CYP11B2CYP11B1PTGER4TNKS2CYP17A1
SCHEMBL23368259 0.89 PTGER4 (0.39) CYP11B2CYP11B1PTGER4CYP17A1FLT3
SCHEMBL21758577 0.88 CYP11B2 (0.39) CYP11B2CYP11B1PTGER4CYP17A1FLT3
SCHEMBL21758717 0.88 CYP11B2 (0.36) CYP11B2CYP11B1PTGER4TNKS2RORC

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 1224/4885PTGER4 1728/4885

“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.