SCHEMBL21758342

SCHEMBL21758342

Cc1ccc2c(c1)c1ccccc1n2-c1ccncc1-c1cc(C#N)ccc1-n1c2ccccc2c2cc(C)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.39
CYP11B1 P15538 1/20 0.39
PTGER4 P35408 2/20 0.35
ACHE P22303 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
ELANE P08246 3/20 0.33
CHUK O15111 1/20 0.33
SLC22A12 Q96S37 2/20 0.33
RORC P51449 1/20 0.33
TDO2 P48775 1/20 0.33
IDO2 Q6ZQW0 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
IDO1 P14902 1/20 0.32

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
SCHEMBL21758343 0.94 CYP11B2 (0.42) CYP11B2CYP11B1ACHEGRIN1GRIN2A
SCHEMBL21758159 0.94 CYP11B2 (0.37) CYP11B2CYP11B1PTGER4ACHEGRIN1
SCHEMBL21758717 0.92 CYP11B2 (0.36) CYP11B2CYP11B1PTGER4ACHEGRIN1
SCHEMBL21758496 0.92 CHUK (0.39) CYP11B2CYP11B1PTGER4CHUKSLC22A12
SCHEMBL21396781 0.92 CYP11B2 (0.39) CYP11B2CYP11B1PTGER4CHUKSLC22A12
SCHEMBL21758495 0.92 CYP11B2 (0.41) CYP11B2CYP11B1PTGER4SLC22A12TNKS2
SCHEMBL21758497 0.90 CYP11B2 (0.39) CYP11B2CYP11B1PTGER4ELANESLC22A12
SCHEMBL18374381 0.89 CASP3 (0.38) PTGER4ACHERORCTDO2IDO2
SCHEMBL21758177 0.88 CYP19A1 (0.36) CYP11B2CYP11B1PTGER4CHUKSLC22A12
SCHEMBL21758176 0.88 CYP19A1 (0.36) CYP11B2CYP11B1PTGER4CHUKSLC22A12

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.