SCHEMBL21736051

SCHEMBL21736051

c1ccc(-n2c3ccccc3c3cc(-c4nc(-n5c6ccccc6c6cc7ccccc7cc65)c5oc6cc(-c7ccccn7)ccc6c5n4)ccc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
NPY5R Q15761 1/20 0.34
PIK3CA P42336 10/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
RAB9A P51151 1/20 0.31
PPP1CA P62136 1/20 0.31
HIF1A Q16665 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PIK3C2B O00750 2/20 0.31
PIK3CB P42338 2/20 0.31
PIK3CG P48736 2/20 0.31
PIK3R1 P27986 2/20 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
SCHEMBL21736023 0.88 TSHR (0.44) TSHRKDM4ELMNAMAPTMAPK1
SCHEMBL21736454 0.88 TSHR (0.44) TSHRKDM4ELMNAMAPTMAPK1
SCHEMBL21736043 0.86 TSHR (0.37) TSHRPIK3CAKDM4ELMNAMAPT
SCHEMBL26741715 0.86 TSHR (0.38) TSHRPIK3CAKDM4ELMNAMAPT
SCHEMBL21736368 0.85 PIK3CD (0.31) TSHRNPY5RPIK3CAKDM4EMAPT
SCHEMBL20670241 0.85 PIK3CA (0.36) TSHRNPY5RPIK3CAKDM4ELMNA
SCHEMBL21736053 0.84 NPSR1 (0.34) NPY5RKDM4EMAPTRAB9APPP1CA
SCHEMBL16905922 0.83 TSHR (0.48) TSHRKDM4ELMNAMAPTMAPK1
SCHEMBL21475050 0.82 TSHR (0.40) TSHRKDM4ELMNAMAPTMAPK1
SCHEMBL21736122 0.81 TSHR (0.44) TSHRKDM4ELMNAMAPTMAPK1

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 4719/4885NPY5R 4334/4885PIK3CA 4634/4885
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME CRY1, CRY2, TRPA1 TSHR 4719/4885NPY5R 4334/4885PIK3CA 4634/4885

“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.