SCHEMBL19009709

SCHEMBL19009709

c1ccc(-c2nc3c4ccccc4c4ccccc4c3c3ccc(-c4cccc(-c5cc6ccccc6c6c5oc5ccc7ccccc7c56)c4)cc23)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 5/20 0.36
CYP1A1 P04798 3/20 0.36
CYP1A2 P05177 3/20 0.36
PAX8 Q06710 2/20 0.36
FYN P06241 1/20 0.36
MAPK3 P27361 1/20 0.36
AHR P35869 1/20 0.36
PIM1 P11309 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MAPT P10636 3/20 0.32
KDM4E B2RXH2 3/20 0.32
HPGD P15428 2/20 0.32
TSHR P16473 2/20 0.32
HSD17B10 Q99714 2/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 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
SCHEMBL19009693 0.91 ABCG2 (0.39) ABCG2CYP1A1CYP1A2PAX8FYN
SCHEMBL19009700 0.90 PIM1 (0.31) PIM1CSNK2A2CSNK2BPIM3PIM2
SCHEMBL19009784 0.89 CYP1A2 (0.38) ABCG2CYP1A1CYP1A2PAX8FYN
SCHEMBL19009764 0.89 CYP1A2 (0.38) ABCG2CYP1A1CYP1A2PAX8FYN
SCHEMBL19009704 0.88 ABCG2 (0.37) ABCG2CYP1A1CYP1A2PAX8FYN
SCHEMBL19009739 0.85 TNF (0.38) ABCG2CYP1A1CYP1A2PAX8FYN
SCHEMBL18907212 0.84 CYP1A2 (0.37) ABCG2CYP1A1CYP1A2PAX8FYN
SCHEMBL19009741 0.84 AHR (0.34) ABCG2CYP1A1CYP1A2PAX8FYN
SCHEMBL19009735 0.84 TNF (0.37) ABCG2CYP1A1CYP1A2PAX8FYN
SCHEMBL19009716 0.84 ABCG2 (0.35) ABCG2CYP1A1CYP1A2PAX8FYN

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-20170179407-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-22 US disclosed
US-20170179407-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-22 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-20170179407-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNT1 ABCG2 4549/4885CYP1A1 175/4885CYP1A2 627/4885

“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.