SCHEMBL21716941

SCHEMBL21716941

c1ccc(-c2cc(-c3ccccc3)cc(-c3nc4ccccc4nc3-n3c4cc5ccccc5cc4c4c(-n5c6ccccc6c6cc7ccccc7cc65)cccc43)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.35
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
CASP1 P29466 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
HTR6 P50406 2/20 0.31
TERT O14746 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 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
SCHEMBL21716911 0.99 GSR (0.36) GSRESR1ESR2CASP1HSD17B10
SCHEMBL21716259 0.95 GSR (0.36) GSRESR1ESR2CASP1HSD17B10
SCHEMBL22425417 0.95 GSR (0.36) GSRESR1ESR2CASP1HSD17B10
SCHEMBL21716262 0.95 GSR (0.37) GSRESR1ESR2CASP1HSD17B10
SCHEMBL21716910 0.94 GSR (0.36) GSRESR1ESR2CASP1HSD17B10
SCHEMBL21716902 0.94 GSR (0.38) GSRESR1ESR2CASP1HSD17B10
SCHEMBL21716971 0.92 GSR (0.35) GSRESR1ESR2
SCHEMBL21717153 0.91 GSR (0.33) GSRESR1ESR2
SCHEMBL21716260 0.88 TUBB4A (0.38) GSRESR1ESR2
SCHEMBL21716942 0.88 GSR (0.35) GSR

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.