SCHEMBL21735930

SCHEMBL21735930

c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4nc(-n5c6ccccc6c6cc7ccccc7cc65)c5oc6ccccc6c5n4)cccc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.36
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
HRH4 Q9H3N8 2/20 0.34
MAPT P10636 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPY1R P25929 1/20 0.31
HTT P42858 1/20 0.31
NPY2R P49146 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HPGD P15428 1/20 0.30
NPC1 O15118 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL21736504 0.94 TSHR (0.35) TSHRKDM4ELMNAHRH4MAPT
SCHEMBL21736279 0.88 TSHR (0.37) TSHRKDM4ELMNAHRH4MAPT
SCHEMBL21736261 0.87 TSHR (0.39) TSHRKDM4ELMNAHRH4MAPT
SCHEMBL21736341 0.86
SCHEMBL21736256 0.84 HRH4 (0.30) HRH4NPC1CYP1A2CYP2C9CYP2C19
SCHEMBL24772440 0.84
SCHEMBL21736336 0.84
SCHEMBL20669838 0.83 TSHR (0.40) TSHRKDM4ELMNAHRH4MAPT
SCHEMBL21736483 0.82 TSHR (0.40) TSHRKDM4ELMNAHRH4MAPT
SCHEMBL21736481 0.81 TSHR (0.39) TSHRKDM4ELMNAHRH4MAPT

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 4719/4885KDM4E 1417/4885LMNA 3949/4885
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME CRY1, CRY2, TRPA1 TSHR 4719/4885KDM4E 1417/4885LMNA 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.