SCHEMBL21736301

SCHEMBL21736301

CC1(C)c2cc(-c3ccccc3)ccc2-c2nc(-n3c4ccccc4c4cc5ccccc5cc43)nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c21

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.33
NPY5R Q15761 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSPO P30536 1/20 0.31

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
SCHEMBL21736170 1.00 PTGER4 (0.33) PTGER4NPY5RKDM4EATML3MBTL1
SCHEMBL20669779 0.93 NPY5R (0.34) NPY5R
SCHEMBL21735982 0.92 PTGER4 (0.35) PTGER4NPY5RKDM4EATML3MBTL1
SCHEMBL21736575 0.89 ALK (0.32)
SCHEMBL18853147 0.89 KDM4E (0.35) PTGER4NPY5RKDM4EATML3MBTL1
SCHEMBL18853107 0.89 KDM4E (0.37) PTGER4NPY5RKDM4EATML3MBTL1
SCHEMBL21736388 0.88 PGR (0.30)
SCHEMBL21478696 0.88 NPY5R (0.34) PTGER4NPY5RKDM4EATML3MBTL1
SCHEMBL20670256 0.88 KDM4E (0.35) PTGER4KDM4EATML3MBTL1
SCHEMBL21736315 0.88 NPY5R (0.32) PTGER4NPY5RKDM4EATML3MBTL1

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 PTGER4 1816/4885NPY5R 4334/4885KDM4E 1417/4885
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME CRY1, CRY2, TRPA1 PTGER4 1816/4885NPY5R 4334/4885KDM4E 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.