SCHEMBL21758561

SCHEMBL21758561

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.43
CYP11B1 P15538 2/20 0.43
PTGER4 P35408 2/20 0.36
FLT3 P36888 5/20 0.35
TNKS2 Q9H2K2 1/20 0.34
CYP17A1 P05093 1/20 0.33
SLC22A12 Q96S37 3/20 0.33
NPY5R Q15761 1/20 0.32
ABL1 P00519 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ATM Q13315 1/20 0.32
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
SCHEMBL21758562 0.95 CYP11B2 (0.46) CYP11B2CYP11B1FLT3TNKS2CYP17A1
SCHEMBL21758691 0.93 CYP11B2 (0.41) CYP11B2CYP11B1PTGER4FLT3TNKS2
SCHEMBL21758560 0.92 CYP11B2 (0.44) CYP11B2CYP11B1PTGER4FLT3TNKS2
SCHEMBL21758552 0.91 CYP11B2 (0.39) CYP11B2CYP11B1PTGER4FLT3TNKS2
SCHEMBL21758485 0.90 CYP11B2 (0.39) CYP11B2CYP11B1PTGER4FLT3TNKS2
SCHEMBL21758183 0.90 CYP11B2 (0.41) CYP11B2CYP11B1PTGER4FLT3TNKS2
SCHEMBL21758476 0.90 CYP11B2 (0.46) CYP11B2CYP11B1PTGER4FLT3CYP17A1
SCHEMBL21758477 0.89 PTGER4 (0.38) CYP11B2CYP11B1PTGER4FLT3CYP17A1
SCHEMBL21758159 0.88 CYP11B2 (0.37) CYP11B2CYP11B1PTGER4FLT3SLC22A12
SCHEMBL21758488 0.88 CYP11B2 (0.39) CYP11B2CYP11B1PTGER4FLT3CYP17A1

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.