SCHEMBL21736059

SCHEMBL21736059

c1ccc2cc(-c3nc(-c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)cc4)nc4c3oc3ccccc34)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.39
MAPT P10636 12/20 0.37
CYP1A2 P05177 3/20 0.36
CYP2C9 P11712 3/20 0.36
CYP2C19 P33261 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 7/20 0.36
KDM4E B2RXH2 3/20 0.36
POLB P06746 3/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 5/20 0.36
HSD17B10 Q99714 3/20 0.36
MAPK1 P28482 2/20 0.36
NPSR1 Q6W5P4 4/20 0.36
KMT2A Q03164 7/20 0.36
MEN1 O00255 6/20 0.36
GAA P10253 2/20 0.36
USP2 O75604 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL21736354 0.93 TSHR (0.40) TSHRMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL21736548 0.89 TSHR (0.37) TSHRMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL21736415 0.89 TSHR (0.38) TSHRMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL23154951 0.87 NPC1 (0.34) TSHRMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL16905912 0.87 TSHR (0.46) TSHRMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL20669747 0.87 ALDH1A1 (0.35) TSHRMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL16905783 0.86 TSHR (0.45) TSHRMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL19247884 0.86 TSHR (0.45) TSHRMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL21736019 0.86 NPC1 (0.38) TSHRMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL19246950 0.86 TSHR (0.45) TSHRMAPTCYP1A2CYP2C9CYP2C19

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 4719/4885MAPT 1009/4885CYP1A2 20/4885
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME CRY1, CRY2, TRPA1 TSHR 4719/4885MAPT 1009/4885CYP1A2 20/4885

“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.