SCHEMBL23740462

SCHEMBL23740462

c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4cc(-n6c7ccc(-c8ccccc8)cc7c7c8ccccc8ccc76)ccc45)n3)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 4/20 0.34
CYP1A2 P05177 4/20 0.34
ABCG2 Q9UNQ0 3/20 0.34
PAX8 Q06710 2/20 0.34
FYN P06241 1/20 0.34
MAPK3 P27361 1/20 0.34
AHR P35869 1/20 0.34
PGR P06401 1/20 0.32
PTGER4 P35408 1/20 0.31
MMP12 P39900 1/20 0.31
MMP13 P45452 1/20 0.31
PRKDC P78527 2/20 0.31
CYP1B1 Q16678 3/20 0.31
NR3C1 P04150 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
KDM4E B2RXH2 1/20 0.30
PDE5A O76074 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL24118905 1.00 CYP1A1 (0.34) CYP1A1CYP1A2ABCG2PAX8FYN
SCHEMBL24118904 0.97 CYP1A2 (0.34) CYP1A1CYP1A2ABCG2PAX8FYN
SCHEMBL23740398 0.97 CYP1A2 (0.34) CYP1A1CYP1A2ABCG2PAX8FYN
SCHEMBL23740351 0.96 CYP1A2 (0.33) CYP1A1CYP1A2ABCG2PAX8FYN
SCHEMBL23740673 0.95 ABCG2 (0.35) CYP1A1CYP1A2ABCG2PAX8FYN
SCHEMBL24118906 0.94 ABCG2 (0.36) CYP1A1CYP1A2ABCG2PAX8FYN
SCHEMBL23740627 0.93 ABCG2 (0.37) CYP1A1CYP1A2ABCG2PAX8FYN
SCHEMBL21862719 0.92 ABCG2 (0.38) CYP1A1CYP1A2ABCG2PAX8FYN
SCHEMBL23740609 0.92 CYP1A1 (0.32) CYP1A1CYP1A2ABCG2PAX8FYN
SCHEMBL23740604 0.91 CYP1A2 (0.36) CYP1A1CYP1A2ABCG2PAX8FYN

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.