SCHEMBL21717052

SCHEMBL21717052

c1ccc2c(c1)-c1cccc3c(-c4nc5ccccc5nc4-c4ccc5cc(-n6c7ccccc7c7cc8ccc(-n9c%10ccccc%10c%10cc%11ccccc%11cc%109)cc8cc76)ccc5c4)ccc-2c13

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
HPGD P15428 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MET P08581 1/20 0.31
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 1/20 0.30
TUBA4A P68366 1/20 0.30
TUBB4B P68371 1/20 0.30
TUBB3 Q13509 1/20 0.30
TUBB2A Q13885 1/20 0.30
TUBB8 Q3ZCM7 1/20 0.30
TUBA3E Q6PEY2 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
SCHEMBL21716951 0.99 CYP1A2 (0.38) CYP1A2HPGDALDH1A1TSHRMAPK1
SCHEMBL21717090 0.96 CYP1A2 (0.37) CYP1A2HPGDALDH1A1TSHRMAPK1
SCHEMBL21716218 0.95 CYP1A2 (0.38) CYP1A2HPGDALDH1A1TSHRMAPK1
SCHEMBL21716884 0.94 CYP1A2 (0.33) CYP1A2HPGDALDH1A1TSHRMAPK1
SCHEMBL21716293 0.94 CYP1A2 (0.33) CYP1A2
SCHEMBL21716850 0.91 CYP1A2 (0.33) CYP1A2HPGDALDH1A1TSHRMAPK1
SCHEMBL21716721 0.90 CYP1A2 (0.37) CYP1A2HPGDALDH1A1TSHRMAPK1
SCHEMBL21716706 0.89 CYP1A2 (0.35) CYP1A2HPGDALDH1A1TSHRMAPK1
SCHEMBL21716935 0.89 CYP1A2 (0.35) CYP1A2HPGDALDH1A1TSHRMAPK1
SCHEMBL21716448 0.89 CYP1A2 (0.38) CYP1A2HPGDALDH1A1TSHRMAPK1

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 CYP1A2 6/4885HPGD 652/4885ALDH1A1 33/4885
US-20200048226-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CYP1A1, CYP1B1, CRY1 CYP1A2 6/4885HPGD 652/4885ALDH1A1 33/4885

“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.