SCHEMBL21736043

SCHEMBL21736043

c1ccc(-n2c3ccccc3c3cc(-c4nc(-n5c6ccccc6c6cc7ccccc7cc65)c5oc6cc(-c7cccnc7)ccc6c5n4)ccc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.37
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 4/20 0.37
MAPT P10636 3/20 0.37
MAPK1 P28482 3/20 0.37
HSD17B10 Q99714 3/20 0.37
MEN1 O00255 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
ALOX12 P18054 1/20 0.37
CYP19A1 P11511 2/20 0.35
CYP17A1 P05093 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
LMNA P02545 4/20 0.34
KDM4E B2RXH2 3/20 0.34
CYP1A2 P05177 3/20 0.33
GBA1 P04062 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP3A4 P08684 2/20 0.33
CLK4 Q9HAZ1 2/20 0.33

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
SCHEMBL21736454 0.87 TSHR (0.44) TSHRALDH1A1KMT2AMAPTMAPK1
SCHEMBL21736023 0.87 TSHR (0.44) TSHRALDH1A1KMT2AMAPTMAPK1
SCHEMBL21736051 0.86 TSHR (0.35) TSHRALDH1A1KMT2AMAPTMAPK1
SCHEMBL26741715 0.85 TSHR (0.38) TSHRALDH1A1KMT2AMAPTMAPK1
SCHEMBL21736027 0.85 TSHR (0.45) TSHRALDH1A1KMT2AMAPTMAPK1
SCHEMBL21736048 0.84 TSHR (0.42) TSHRALDH1A1KMT2AMAPTMAPK1
SCHEMBL21736553 0.82 TSHR (0.47) TSHRALDH1A1KMT2AMAPTMAPK1
SCHEMBL16905922 0.82 TSHR (0.48) TSHRALDH1A1KMT2AMAPTMAPK1
SCHEMBL17565570 0.81 TSHR (0.47) TSHRALDH1A1KMT2AMAPTMAPK1
SCHEMBL21475050 0.81 TSHR (0.40) TSHRALDH1A1KMT2AMAPTMAPK1

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 4719/4885ALDH1A1 14/4885KMT2A 802/4885
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME CRY1, CRY2, TRPA1 TSHR 4719/4885ALDH1A1 14/4885KMT2A 802/4885

“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.