SCHEMBL21758562

SCHEMBL21758562

Cc1cc(C)c(-c2ccc3c(c2)c2cc(-c4c(C)cc(C)cc4C)ccc2n3-c2ccncc2-c2ccc(C#N)cc2-n2c3ccc(-c4c(C)cc(C)cc4C)cc3c3cc(-c4c(C)cc(C)cc4C)ccc32)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.46
CYP11B1 P15538 3/20 0.46
SLC22A12 Q96S37 4/20 0.35
ABL1 P00519 1/20 0.35
CYP17A1 P05093 1/20 0.34
FLT3 P36888 6/20 0.34
TNKS2 Q9H2K2 1/20 0.33
KDM1A O60341 1/20 0.33
CHUK O15111 1/20 0.32
MAP3K8 P41279 1/20 0.31
AR P10275 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
SCHEMBL21758561 0.95 CYP11B2 (0.43) CYP11B2CYP11B1SLC22A12ABL1CYP17A1
SCHEMBL21758703 0.91 CYP11B2 (0.48) CYP11B2CYP11B1SLC22A12ABL1CYP17A1
SCHEMBL21758706 0.91 CYP11B2 (0.42) CYP11B2CYP11B1SLC22A12ABL1CYP17A1
SCHEMBL21758179 0.88 CYP11B2 (0.45) CYP11B2CYP11B1SLC22A12ABL1CYP17A1
SCHEMBL21758691 0.88 CYP11B2 (0.41) CYP11B2CYP11B1SLC22A12CYP17A1FLT3
SCHEMBL21758156 0.87 CYP11B2 (0.41) CYP11B2CYP11B1SLC22A12KDM1ACHUK
SCHEMBL21758489 0.87 CYP11B2 (0.41) CYP11B2CYP11B1SLC22A12CYP17A1FLT3
SCHEMBL21758484 0.85 CHUK (0.42) CYP11B2CYP11B1SLC22A12CYP17A1FLT3
SCHEMBL21758498 0.85 CYP11B2 (0.49) CYP11B2CYP11B1SLC22A12ABL1CYP17A1
SCHEMBL21758160 0.85 CYP11B2 (0.39) CYP11B2CYP11B1SLC22A12CYP17A1FLT3

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 1224/4885SLC22A12 2205/4885

“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.