SCHEMBL21736069

SCHEMBL21736069

c1ccc(-c2ccc3c(c2)sc2nc(-c4ccccc4)nc(-n4c5ccccc5c5cc6ccccc6cc54)c23)cc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32
LIMK1 P53667 1/20 0.32
PIK3CA P42336 1/20 0.31
PI4KA P42356 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
PRKCI P41743 1/20 0.30
ACP1 P24666 1/20 0.30

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
SCHEMBL21736063 0.94 KDM4E (0.33) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL21736163 0.93 TSHR (0.36) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL21735862 0.91 HPGD (0.34) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL20669845 0.90 ADORA2A (0.32) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL21735956 0.90 ALDH1A1 (0.32) ALDH1A1HPGD
SCHEMBL20669803 0.88 ELANE (0.31) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL20670180 0.88 MEN1 (0.32) KDM4ETSHRADORA2AADORA1PRKCI
SCHEMBL21735988 0.86 KDM4E (0.36) KDM4E
SCHEMBL21736185 0.86
SCHEMBL20670260 0.85 GBA1 (0.31) KDM4EALDH1A1HPGDTSHRHSD17B10

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 KDM4E 1417/4885ALDH1A1 14/4885HPGD 2603/4885
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME CRY1, CRY2, TRPA1 KDM4E 1417/4885ALDH1A1 14/4885HPGD 2603/4885

“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.