SCHEMBL21693094

SCHEMBL21693094

N#Cc1ccccc1-c1cc(-c2ccc3sc4ccccc4c3c2)cc(-c2cccc3c2sc2ccccc23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.49
ESR2 Q92731 1/20 0.38
PRKDC P78527 2/20 0.36
PARP14 Q460N5 1/20 0.36
CYP1A2 P05177 4/20 0.36
CYP3A4 P08684 4/20 0.36
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 3/20 0.36
CLK4 Q9HAZ1 3/20 0.36
MAPK1 P28482 2/20 0.36
HPGD P15428 1/20 0.36
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
GPR3 P46089 1/20 0.34
TRPA1 O75762 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
GABRG2 P18507 3/20 0.33
GABRB3 P28472 3/20 0.33
GABRA1 P14867 2/20 0.33
GABRA2 P47869 2/20 0.33

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
SCHEMBL21693100 1.00 ALOX5 (0.49) ALOX5ESR2PRKDCPARP14CYP1A2
SCHEMBL21692377 0.98 ALOX5 (0.50) ALOX5ESR2PRKDCPARP14CYP1A2
SCHEMBL21691540 0.96 ALOX5 (0.46) ALOX5ESR2PRKDCPARP14CYP1A2
SCHEMBL21692384 0.95 ALOX5 (0.47) ALOX5ESR2PRKDCPARP14CYP1A2
SCHEMBL21691524 0.95 ALOX5 (0.43) ALOX5ESR2PARP14CYP1A2CYP3A4
SCHEMBL21692589 0.94 ALOX5 (0.44) ALOX5ESR2PRKDCPARP14CYP1A2
SCHEMBL21692576 0.94 ALOX5 (0.44) ALOX5ESR2PRKDCPARP14CYP1A2
SCHEMBL21691704 0.93 ALOX5 (0.47) ALOX5ESR2PRKDCPARP14CYP1A2
SCHEMBL21693142 0.93 ALOX5 (0.49) ALOX5ESR2PRKDCPARP14CYP1A2
SCHEMBL21692222 0.92 ESR2 (0.44) ALOX5ESR2CYP1A2CYP3A4ALDH1A1

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-11053228-B2 Condensed cyclic compound, composition including the condensed cyclic compound, and organic light-emitting device including the condensed cyclic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2021-07-06 US disclosed
US-20200031812-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE CONDENSED CYCLIC COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE CONDENSED CYCLIC COMPOUND SAMSUNG SDI CO., LTD. (KR) 2020-01-30 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-11053228-B2 Condensed cyclic compound, composition including the condensed cyclic compound, and organic light-emitting device including the condensed cyclic compound CCNL2, ARL1, CRY1 ALOX5 2220/4885ESR2 77/4885PRKDC 4839/4885
US-20200031812-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE CONDENSED CYCLIC COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE CONDENSED CYCLIC COMPOUND CCNL2, ARL1, CRY1 ALOX5 2220/4885ESR2 77/4885PRKDC 4839/4885

“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.