SCHEMBL21688264

SCHEMBL21688264

N#Cc1cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)ccc1-c1ccc(-n2c3ccccc3c3ccccc32)c(C#N)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.34
FEN1 P39748 2/20 0.34
XDH P47989 3/20 0.33
TRPA1 O75762 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
ALDH1A1 P00352 2/20 0.32
AR P10275 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
IMPDH2 P12268 1/20 0.31
NR3C1 P04150 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
RXFP1 Q9HBX9 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
SCHEMBL21688258 0.93 STS (0.33) ALOX5APFEN1XDHNR3C1
SCHEMBL21688235 0.92 ALOX5AP (0.34) ALOX5APFEN1TRPA1CYP19A1CYP11B1
SCHEMBL21688207 0.91 CYP11B2 (0.34) ALOX5APFEN1TRPA1CYP19A1CYP11B1
SCHEMBL21688075 0.89 ALDH1A1 (0.38) CYP11B1CYP11B2ALDH1A1NPSR1TDP1
SCHEMBL21687447 0.87 KDM4E (0.41) ALOX5APFEN1XDHCYP19A1ALDH1A1
SCHEMBL21688078 0.86 ALDH1A1 (0.37) CYP11B1CYP11B2ALDH1A1NPSR1TDP1
SCHEMBL21687449 0.85 ALDH1A1 (0.35) XDHALDH1A1ARTDP1IMPDH2
SCHEMBL21687817 0.85 KDM4E (0.39) ALOX5APFEN1CYP19A1ALDH1A1NPSR1
SCHEMBL17952420 0.85 ESR2 (0.40) ALOX5APFEN1TRPA1ALDH1A1NR3C1
SCHEMBL21687609 0.84 ALDH1A1 (0.34) ALOX5APFEN1TRPA1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11201300-B2 Condensed cyclic compound and organic light-emitting device including condensed cyclic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2021-12-14 US disclosed
US-20200044168-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING CONDENSED CYCLIC COMPOUND SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-02-06 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 (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-20200044168-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING CONDENSED CYCLIC COMPOUND CRY1, CCNL2, CCNE2 ALOX5AP 3063/4885FEN1 1475/4885XDH 2146/4885
US-11201300-B2 Condensed cyclic compound and organic light-emitting device including condensed cyclic compound CRY1, CCNL2, CCNE2 ALOX5AP 3063/4885FEN1 1475/4885XDH 2146/4885

“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.