SCHEMBL21716992

SCHEMBL21716992

c1ccc(-c2nc3ccccc3nc2-n2c3cc4ccccc4cc3c3c(-n4c5ccccc5c5ccc6ccccc6c54)cccc32)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.34
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CASP1 P29466 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
PDE10A Q9Y233 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
NPY1R P25929 1/20 0.30
HTT P42858 1/20 0.30
NPY2R P49146 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL21717149 0.98 GSR (0.33) GSRESR1ESR2HSD17B10CASP1
SCHEMBL21717153 0.95 GSR (0.33) GSRESR1ESR2
SCHEMBL21716991 0.93 TUBB4A (0.35) GSRALDH1A1HPGDPDE10ATDP1
SCHEMBL21717005 0.92 GSR (0.33) GSRTDP1TUBB4ATUBBTUBA3C
SCHEMBL21716902 0.92 GSR (0.38) GSRESR1ESR2HSD17B10CASP1
SCHEMBL21716262 0.91 GSR (0.37) GSRESR1ESR2HSD17B10CASP1
SCHEMBL21717151 0.90 GSR (0.34) GSRTDP1TUBB4ATUBBTUBA3C
SCHEMBL21716910 0.90 GSR (0.36) GSRESR1ESR2HSD17B10CASP1
SCHEMBL22425390 0.90 GSR (0.37) GSRHSD17B10CASP1HRH4ALDH1A1
SCHEMBL21716900 0.89 GSR (0.37) GSRESR1ESR2HSD17B10CASP1

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.