SCHEMBL22893932

SCHEMBL22893932

c1ccc(-c2nc(-c3ccc4c(c3)oc3ccc5ccccc5c34)nc(-n3c4ccccc4c4c5ccccc5ccc43)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 7/20 0.38
PAX8 Q06710 2/20 0.38
AHR P35869 2/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
FYN P06241 1/20 0.38
MAPK3 P27361 1/20 0.38
TDP1 Q9NUW8 3/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 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
SCHEMBL22893739 0.94 ABCG2 (0.40) ABCG2PAX8AHRCYP1A1CYP1A2
SCHEMBL24153603 0.94 ABCG2 (0.40) ABCG2PAX8AHRCYP1A1CYP1A2
SCHEMBL22893780 0.94 ABCG2 (0.36) ABCG2PAX8AHRCYP1A1CYP1A2
SCHEMBL22893741 0.94 ABCG2 (0.37) ABCG2PAX8AHRCYP1A1CYP1A2
SCHEMBL24153869 0.93 TDP1 (0.36) ABCG2PAX8AHRCYP1A1CYP1A2
SCHEMBL22893857 0.92 ABCG2 (0.39) ABCG2PAX8AHRCYP1A1CYP1A2
SCHEMBL22893793 0.92 ABCG2 (0.34) ABCG2PAX8AHRCYP1A1CYP1A2
SCHEMBL21512255 0.91 ABCG2 (0.34) ABCG2PAX8AHRCYP1A1CYP1A2
SCHEMBL22893795 0.90 KDM4E (0.34) ABCG2PAX8AHRCYP1A1CYP1A2
SCHEMBL22893740 0.90 ALDH1A1 (0.36) ABCG2PAX8AHRCYP1A1CYP1A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210013411-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LT MATERIALS CO., LTD. (KR) 2021-01-14 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 (1 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-20210013411-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, CYP1A1, CYP1B1 ABCG2 2304/4885PAX8 1615/4885AHR 21/4885

“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.