SCHEMBL21691504

SCHEMBL21691504

N#Cc1ccccc1-c1cc(-c2ccc3sc4ccccc4c3c2)c(C#N)c(-c2ccc3sc4ccccc4c3c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.41
CYP1A2 P05177 8/20 0.40
CYP3A4 P08684 8/20 0.40
ALDH1A1 P00352 6/20 0.40
HSD17B10 Q99714 6/20 0.40
CLK4 Q9HAZ1 5/20 0.40
HPGD P15428 3/20 0.40
MAPK1 P28482 2/20 0.40
TRPA1 O75762 1/20 0.39
CYP2C19 P33261 4/20 0.37
USP2 O75604 3/20 0.37
LMNA P02545 3/20 0.37
CYP2D6 P10635 2/20 0.37
PDE10A Q9Y233 1/20 0.37
ALOX5 P09917 1/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
GPR3 P46089 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37

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
SCHEMBL21692552 0.96 ESR2 (0.38) ESR2CYP1A2CYP3A4ALDH1A1HSD17B10
SCHEMBL21693040 0.95 ESR2 (0.42) ESR2CYP1A2CYP3A4ALDH1A1HSD17B10
SCHEMBL21691496 0.92 CYP1A2 (0.36) ESR2CYP1A2CYP3A4ALDH1A1HSD17B10
SCHEMBL21692249 0.92 ESR2 (0.41) ESR2CYP1A2CYP3A4ALDH1A1HSD17B10
SCHEMBL21691706 0.92 CYP1A2 (0.35) ESR2CYP1A2CYP3A4ALDH1A1HSD17B10
SCHEMBL21693096 0.92 ALOX5 (0.45) ESR2CYP1A2CYP3A4ALDH1A1HSD17B10
SCHEMBL21693097 0.90 ALOX5 (0.48) ESR2CYP1A2CYP3A4ALDH1A1HSD17B10
SCHEMBL21692518 0.89 ESR2 (0.43) ESR2CYP1A2CYP3A4ALDH1A1HSD17B10
SCHEMBL21692993 0.88 ALOX5 (0.36) ESR2CYP1A2CYP3A4ALDH1A1HSD17B10
SCHEMBL21692209 0.88 ESR2 (0.44) ESR2CYP1A2CYP3A4ALDH1A1HSD17B10

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 ESR2 77/4885CYP1A2 1250/4885CYP3A4 2900/4885
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 ESR2 77/4885CYP1A2 1250/4885CYP3A4 2900/4885

“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.