SCHEMBL21736039

SCHEMBL21736039

c1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc(-c2ccc3cccnc3c2)nc2oc3ccccc3c12

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.34
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CG P48736 1/20 0.31
KDM5B Q9UGL1 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
SCHEMBL21735864 0.87 TDP1 (0.32) ALDH1A1
SCHEMBL20669988 0.86 HCRTR1 (0.33) KDM4EALDH1A1
SCHEMBL21735901 0.86 CHEK2 (0.31) ALDH1A1
SCHEMBL24772668 0.86 CHEK2 (0.37) KDM4EALDH1A1
SCHEMBL20669912 0.85 GRM4 (0.31) GRM4
SCHEMBL21735860 0.85 TSHR (0.37) KDM4EALDH1A1PIK3CA
SCHEMBL20670060 0.83 SMN1; SMN2 (0.38) KDM4EALDH1A1
SCHEMBL21736293 0.83 SMN1; SMN2 (0.38) KDM4EALDH1A1
SCHEMBL21735869 0.83 TSHR (0.33) KDM4EALDH1A1
SCHEMBL20670141 0.83 GRM4 (0.35) GRM4KDM4EALDH1A1KDM5B

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 927/4885KDM4E 1417/4885ALDH1A1 14/4885
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME CRY1, CRY2, TRPA1 GRM4 927/4885KDM4E 1417/4885ALDH1A1 14/4885

“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.