SCHEMBL21736025

SCHEMBL21736025

c1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc2c(nc1-c1ccc3cccnc3c1)oc1ccccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.35
KDM5B Q9UGL1 1/20 0.35
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTR6 P50406 1/20 0.32
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.31
PDE10A Q9Y233 4/20 0.31
CYP3A4 P08684 2/20 0.30
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 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
SCHEMBL20670141 0.98 GRM4 (0.35) GRM4KDM5BKDM4EALDH1A1HTR6
SCHEMBL21736097 0.90 GRM4 (0.34) GRM4KDM5BKDM4EALDH1A1NPC1
SCHEMBL21736533 0.87 ALDH1A1 (0.32) KDM4EALDH1A1NPC1CYP1A2CYP2C9
SCHEMBL20670161 0.85 NPY5R (0.37) GRM4KDM4EALDH1A1NPC1CYP1A2
SCHEMBL20669735 0.85 CHEK2 (0.36) KDM4EALDH1A1NPC1CYP1A2CYP2C9
SCHEMBL21736183 0.85 HCRTR1 (0.34) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL21213514 0.84 CYP3A4 (0.38) KDM5BALDH1A1HTR6NPC1CYP1A2
SCHEMBL21735855 0.84 MEN1 (0.36) KDM4EALDH1A1NPC1CYP1A2CYP2C9
SCHEMBL21735980 0.83 KDM4E (0.38) KDM4EALDH1A1NPC1CYP1A2CYP2C9
SCHEMBL21212931 0.83 NPY5R (0.36) KDM5BALDH1A1HTR6NPC1CYP1A2

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 GRM4 927/4885KDM5B 1588/4885KDM4E 1417/4885
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME CRY1, CRY2, TRPA1 GRM4 927/4885KDM5B 1588/4885KDM4E 1417/4885

“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.