SCHEMBL19009716

SCHEMBL19009716

c1cc(-c2nc3c4ccccc4c4ccccc4c3c3ncccc23)cc(-c2cc3ccccc3c3c2oc2ccc4ccccc4c23)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.35
AHR P35869 2/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
FYN P06241 1/20 0.35
MAPK3 P27361 1/20 0.35
PAX8 Q06710 1/20 0.35
CYP11B1 P15538 1/20 0.33
ALDH1A1 P00352 5/20 0.32
MAPT P10636 4/20 0.32
KDM4E B2RXH2 3/20 0.32
HPGD P15428 3/20 0.32
HSD17B10 Q99714 2/20 0.32
GAA P10253 1/20 0.32
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
PDE4D Q08499 4/20 0.31
ATR Q13535 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
SCHEMBL19009741 0.92 AHR (0.34) ABCG2AHRCYP1A1CYP1A2FYN
SCHEMBL19009764 0.90 CYP1A2 (0.38) ABCG2AHRCYP1A1CYP1A2FYN
SCHEMBL19009693 0.90 ABCG2 (0.39) ABCG2AHRCYP1A1CYP1A2FYN
SCHEMBL19009704 0.87 ABCG2 (0.37) ABCG2AHRCYP1A1CYP1A2FYN
SCHEMBL19009735 0.86 TNF (0.37) ABCG2AHRCYP1A1CYP1A2FYN
SCHEMBL19009755 0.86 ABCG2 (0.35) ABCG2AHRCYP1A1CYP1A2FYN
SCHEMBL19009784 0.85 CYP1A2 (0.38) ABCG2AHRCYP1A1CYP1A2FYN
SCHEMBL19009739 0.85 TNF (0.38) ABCG2AHRCYP1A1CYP1A2FYN
SCHEMBL19009709 0.84 ABCG2 (0.36) ABCG2AHRCYP1A1CYP1A2FYN
SCHEMBL19009723 0.82 CYP1A1 (0.34) ABCG2AHRCYP1A1CYP1A2FYN

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 4549/4885AHR 2311/4885CYP1A1 175/4885

“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.