SCHEMBL21735923

SCHEMBL21735923

N#Cc1cccc(-c2ccc3oc4nc(-c5ccccc5)nc(-n5c6ccccc6c6cc7ccccc7cc65)c4c3c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 11/20 0.41
CYP3A4 P08684 10/20 0.41
CYP2D6 P10635 7/20 0.41
LMNA P02545 6/20 0.41
TP53 P04637 3/20 0.41
TSHR P16473 4/20 0.38
PGR P06401 1/20 0.38
CLK4 Q9HAZ1 7/20 0.38
ALDH1A1 P00352 6/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
HSD17B10 Q99714 5/20 0.38
CYP2C19 P33261 4/20 0.38
CYP2C9 P11712 3/20 0.38
MAPK1 P28482 5/20 0.36
ABCG2 Q9UNQ0 3/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
USP2 O75604 5/20 0.35
ALDH1A3 P47895 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
SCHEMBL21736065 0.90 TBK1 (0.34) LMNATSHRPGRALDH1A1MEN1
SCHEMBL21736168 0.90 CYP1A2 (0.36) CYP1A2CYP3A4CYP2D6LMNATP53
SCHEMBL21735911 0.87 TNKS (0.38) CYP1A2CYP3A4CYP2D6LMNATP53
SCHEMBL21736073 0.85 ALDH1A1 (0.34) TP53TSHRALDH1A1HSD17B10MAPK1
SCHEMBL21735860 0.84 TSHR (0.37) CYP1A2LMNATSHRALDH1A1MEN1
SCHEMBL21736055 0.84 SMN1; SMN2 (0.34) CYP1A2LMNAALDH1A1CYP2C9KDM4E
SCHEMBL21736155 0.83 PGR (0.39) CYP1A2CYP3A4CYP2D6LMNATP53
SCHEMBL21735869 0.82 TSHR (0.33) CYP1A2CYP3A4CYP2D6LMNATP53
SCHEMBL24772668 0.81 CHEK2 (0.37) LMNAALDH1A1MEN1KMT2AHSD17B10
SCHEMBL20669801 0.79 SMN1; SMN2 (0.33) CYP1A2LMNATSHRALDH1A1MEN1

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-11530225-B2 Compound and organic light-emitting diode comprising same LG CHEM, LTD. (KR) 2022-12-20 US disclosed
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2020-02-20 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-11530225-B2 Compound and organic light-emitting diode comprising same CRY1, CRY2, TRPA1 CYP1A2 20/4885CYP3A4 40/4885CYP2D6 115/4885
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME CRY1, CRY2, TRPA1 CYP1A2 20/4885CYP3A4 40/4885CYP2D6 115/4885

“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.