SCHEMBL21736561

SCHEMBL21736561

c1ccc2cc3c(cc2c1)c1cc2ccccc2cc1n3-c1ccc(-c2nc3c(nc2-c2ccc4cccnc4c2)oc2ccccc23)cn1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.34
KDM5B Q9UGL1 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NPC1 O15118 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
RAB9A P51151 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
SCHEMBL21478742 0.93 GRM4 (0.31) GRM4KDM5B
SCHEMBL20670141 0.86 GRM4 (0.35) GRM4KDM5BKDM4EALDH1A1NPC1
SCHEMBL21736025 0.84 GRM4 (0.35) GRM4KDM5BKDM4EALDH1A1NPC1
SCHEMBL20670220 0.83 KDM4E (0.33) KDM4E
SCHEMBL20669912 0.83 GRM4 (0.31) GRM4
SCHEMBL20669937 0.82 GRM4 (0.38) GRM4KDM5BKDM4EALDH1A1NPC1
SCHEMBL21736585 0.81 KDM4E (0.32) GRM4KDM5BKDM4EALDH1A1
SCHEMBL20669741 0.81 KDM4E (0.32) GRM4KDM5BKDM4EALDH1A1
SCHEMBL21736097 0.80 GRM4 (0.34) GRM4KDM5BKDM4EALDH1A1NPC1
SCHEMBL24203077 0.78

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.