SCHEMBL23740629

SCHEMBL23740629

c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4c(-n6c7ccc8ccccc8c7c7c8ccccc8ccc76)cccc45)n3)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 3/20 0.33
CYP1A2 P05177 3/20 0.33
ABCG2 Q9UNQ0 3/20 0.33
FYN P06241 1/20 0.33
MAPK3 P27361 1/20 0.33
AHR P35869 1/20 0.33
PAX8 Q06710 1/20 0.33
PRKDC P78527 3/20 0.32
TSHR P16473 3/20 0.31
CYP1B1 Q16678 2/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
TP53 P04637 2/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
MAPK1 P28482 2/20 0.31
HSD17B10 Q99714 2/20 0.31
PDE5A O76074 1/20 0.31
ABCB1 P08183 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL21862789 0.97 CYP1A1 (0.35) CYP1A1CYP1A2ABCG2FYNMAPK3
SCHEMBL21862801 0.94 CYP1A1 (0.32) CYP1A1CYP1A2ABCG2FYNMAPK3
SCHEMBL21862810 0.94 CYP1A1 (0.32) CYP1A1CYP1A2ABCG2FYNMAPK3
SCHEMBL23740330 0.92 CYP1A1 (0.33) CYP1A1CYP1A2ABCG2FYNMAPK3
SCHEMBL23740490 0.91 CYP1A1 (0.32) CYP1A1CYP1A2ABCG2FYNMAPK3
SCHEMBL21862979 0.90
SCHEMBL24363386 0.90 CYP1A1 (0.32) CYP1A1CYP1A2ABCG2FYNMAPK3
SCHEMBL21862785 0.90 CYP1A1 (0.33) CYP1A1CYP1A2ABCG2FYNMAPK3
SCHEMBL21862980 0.90
SCHEMBL21668715 0.89 PRKDC (0.34) PRKDCTSHRMAPTMMP12MMP13

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-20210395263-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT EMITTING DIODE COMPRISING SAME, COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT EMITTING DIODE, AND METHOD FOR MANUFACTURING ORGANIC LIGHT EMITTING DIODE LT MATERIALS CO., LTD. (KR) 2021-12-23 US disclosed
EP-3862353-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT EMITTING DIODE COMPRISING SAME, COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT EMITTING DIODE, AND METHOD FOR MANUFACTURING ORGANIC LIGHT EMITTING DIODE LT Materials Co., Ltd. (KR) 2021-08-11 EP 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-20210395263-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT EMITTING DIODE COMPRISING SAME, COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT EMITTING DIODE, AND METHOD FOR MANUFACTURING ORGANIC LIGHT EMITTING DIODE ODC1, AOX1, CYP1B1 CYP1A1 4/4885CYP1A2 16/4885ABCG2 2212/4885

“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.