SCHEMBL21716262

SCHEMBL21716262

c1ccc(-c2nc3ccccc3nc2-n2c3cc4ccccc4cc3c3c(-n4c5ccccc5c5cc6ccccc6cc54)cccc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.37
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CASP1 P29466 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
KDM4E B2RXH2 5/20 0.34
ALDH1A1 P00352 4/20 0.34
GAA P10253 2/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 1/20 0.32
PDE10A Q9Y233 2/20 0.32
TERT O14746 1/20 0.32
NPY5R Q15761 1/20 0.32
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
LMNA P02545 2/20 0.32

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
SCHEMBL21716902 0.99 GSR (0.38) GSRESR1ESR2HSD17B10CASP1
SCHEMBL21716259 0.98 GSR (0.36) GSRESR1ESR2HSD17B10CASP1
SCHEMBL21716910 0.97 GSR (0.36) GSRESR1ESR2HSD17B10CASP1
SCHEMBL21716941 0.95 GSR (0.35) GSRESR1ESR2HSD17B10CASP1
SCHEMBL22425417 0.94 GSR (0.36) GSRESR1ESR2HSD17B10CASP1
SCHEMBL21716911 0.94 GSR (0.36) GSRESR1ESR2HSD17B10CASP1
SCHEMBL21716900 0.92 GSR (0.37) GSRESR1ESR2HSD17B10CASP1
SCHEMBL21716260 0.91 TUBB4A (0.38) GSRESR1ESR2PDE10AL3MBTL1
SCHEMBL21716992 0.91 GSR (0.34) GSRESR1ESR2HSD17B10CASP1
SCHEMBL21716895 0.90 TUBB4A (0.38) GSRESR1ESR2PDE10AL3MBTL1

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-11192884-B2 Heterocyclic compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2021-12-07 US disclosed
US-20200048226-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2020-02-13 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-11192884-B2 Heterocyclic compound and organic light-emitting device comprising same CYP1A1, CYP1B1, CRY1 GSR 3951/4885ESR1 195/4885ESR2 1326/4885
US-20200048226-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CYP1A1, CYP1B1, CRY1 GSR 3951/4885ESR1 195/4885ESR2 1326/4885

“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.