SCHEMBL21736504

SCHEMBL21736504

c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(-c3nc(-n4c5ccccc5c5cc6ccccc6cc54)c4oc5ccccc5c4n3)cccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.35
HRH4 Q9H3N8 3/20 0.34
LMNA P02545 4/20 0.33
HSD17B10 Q99714 4/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 3/20 0.33
MAPK1 P28482 2/20 0.33
MEN1 O00255 3/20 0.33
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 3/20 0.33
NPSR1 Q6W5P4 2/20 0.32
NPY1R P25929 1/20 0.32
HTT P42858 1/20 0.32
NPY2R P49146 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CREBBP Q92793 1/20 0.31
PIM1 P11309 1/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
PIM3 Q86V86 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
SCHEMBL21735930 0.94 TSHR (0.36) TSHRHRH4LMNAHSD17B10KDM4E
SCHEMBL21736279 0.90 TSHR (0.37) TSHRHRH4LMNAHSD17B10KDM4E
SCHEMBL21735927 0.87 TSHR (0.39) TSHRHRH4LMNAHSD17B10KDM4E
SCHEMBL20669838 0.85 TSHR (0.40) TSHRHRH4LMNAHSD17B10KDM4E
SCHEMBL21736323 0.85
SCHEMBL21736483 0.85 TSHR (0.40) TSHRHRH4LMNAHSD17B10KDM4E
SCHEMBL21736481 0.84 TSHR (0.39) TSHRHRH4LMNAHSD17B10KDM4E
SCHEMBL20670058 0.84 PIM1 (0.31) PIM1CSNK2A2CSNK2BPIM3PIM2
SCHEMBL21735986 0.83 KDM4E (0.30) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL21736234 0.83 KDM4E (0.30) KDM4EMEN1ALDH1A1KMT2A

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 TSHR 4719/4885HRH4 2716/4885LMNA 3949/4885
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME CRY1, CRY2, TRPA1 TSHR 4719/4885HRH4 2716/4885LMNA 3949/4885

“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.