SCHEMBL20624316

SCHEMBL20624316

N#Cc1cc(-n2c3cc(-c4cccc(-c5ccccc5)n4)ccc3c3ccc(-c4cccc(-c5ccccc5)n4)cc32)c(-n2c3cc(-c4cccc(-c5ccccc5)n4)ccc3c3ccc(-c4cccc(-c5ccccc5)n4)cc32)cc1-c1c(C(F)(F)F)cccc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.38
CYP11B2 P19099 2/20 0.38
CYP11B1 P15538 1/20 0.38
TRPA1 O75762 1/20 0.37
CTSS P25774 2/20 0.37
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
HPGD P15428 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
SCN9A Q15858 3/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
PGR P06401 1/20 0.34

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
SCHEMBL20624330 0.97 AR (0.36) ARCYP11B2CYP11B1TRPA1CTSS
SCHEMBL20611932 0.93 AR (0.35) ARCYP11B2CYP11B1TRPA1CTSS
SCHEMBL20623488 0.93 AR (0.37) ARCYP11B2CYP11B1TRPA1CTSS
SCHEMBL20624331 0.92 AR (0.38) ARCYP11B2CYP11B1TRPA1CTSS
SCHEMBL21898631 0.91 AR (0.36) ARCYP11B2CYP11B1TRPA1CTSS
SCHEMBL20624324 0.91 AR (0.36) ARCYP11B2CYP11B1TRPA1CTSS
SCHEMBL20616855 0.89 TRPA1 (0.44) ARCYP11B2CYP11B1TRPA1CTSS
SCHEMBL20612202 0.89 AR (0.36) ARCYP11B2CYP11B1TRPA1CTSS
SCHEMBL21898665 0.89 AR (0.39) ARTRPA1KDM4EALDH1A1L3MBTL1
SCHEMBL20611448 0.88 AR (0.37) ARCYP11B2CYP11B1TRPA1CTSS

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11661412-B2 Organic molecules for use in organic optoelectronic devices SAMSUNG DISPLAY CO., LTD. (KR) 2023-05-30 US disclosed
EP-3645523-B1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO LTD (KR) 2022-08-03 EP disclosed
US-20200123131-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-04-23 US disclosed
WO-2019002175-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-01-03 WO 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 (2 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-20200123131-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, AOC3, MT-CO3 AR 4468/4885CYP11B2 657/4885CYP11B1 1096/4885
US-11661412-B2 Organic molecules for use in organic optoelectronic devices OR10J3, OR51E2, AOX1 AR 4596/4885CYP11B2 534/4885CYP11B1 1130/4885

“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.