SCHEMBL21716255

SCHEMBL21716255

c1ccc(-c2cc(-c3ccccc3)cc(-c3nc4ccccc4nc3-c3ccc4cc(-n5c6ccc(-n7c8ccccc8c8c9ccccc9ccc87)cc6c6cc7ccccc7cc65)ccc4c3)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.32
HTR6 P50406 2/20 0.32
PTGES O14684 1/20 0.32
LMNA P02545 4/20 0.31
ALDH1A1 P00352 3/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
THRB P10828 1/20 0.31
ESR1 P03372 2/20 0.30
ESR2 Q92731 2/20 0.30
KDM4E B2RXH2 2/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
HTR2B P41595 1/20 0.30
HTR5A P47898 1/20 0.30
MAPT P10636 2/20 0.30
HTT P42858 2/20 0.30
POLB P06746 1/20 0.30
HSP90AA1 P07900 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
SCHEMBL21716892 0.95 L3MBTL1 (0.33) PTGESLMNAALDH1A1L3MBTL1THRB
SCHEMBL21717026 0.95 LMNA (0.34) HPGDPTGESLMNAALDH1A1L3MBTL1
SCHEMBL21716254 0.94 ADORA2A (0.35) HPGDPTGESLMNAALDH1A1L3MBTL1
SCHEMBL21717041 0.93 HTR6 (0.34) HPGDHTR6LMNAALDH1A1L3MBTL1
SCHEMBL21717027 0.93 HPGD (0.34) HPGDPTGESLMNAALDH1A1ADORA2A
SCHEMBL21716452 0.93 HTR6 (0.34) HPGDHTR6LMNAALDH1A1L3MBTL1
SCHEMBL21716897 0.92 L3MBTL1 (0.35) PTGESLMNAALDH1A1L3MBTL1THRB
SCHEMBL21716240 0.91 L3MBTL1 (0.36) HPGDPTGESLMNAALDH1A1L3MBTL1
SCHEMBL21716227 0.90 ESR1 (0.33) HPGDESR1ESR2
SCHEMBL21716237 0.90 MAPK10 (0.36) HPGDPTGESLMNAALDH1A1L3MBTL1

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 HPGD 652/4885HTR6 2534/4885PTGES 1203/4885
US-20200048226-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CYP1A1, CYP1B1, CRY1 HPGD 652/4885HTR6 2534/4885PTGES 1203/4885

“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.