SCHEMBL17451680

SCHEMBL17451680

c1ccc(N(c2ccccc2)c2ccc(-c3ccc4oc5c6ccccc6c6c(c7ccccc7n6-c6ccccc6)c5c4c3)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
BRCA1 P38398 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PLA2G2A P14555 1/20 0.32
PLA2G4A P47712 1/20 0.32
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30
PPARG P37231 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
NR2E3 Q9Y5X4 1/20 0.30
NCOR2 Q9Y618 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
SCHEMBL17451718 0.87 ALDH1A1 (0.34) ALDH1A1MEN1POLBTSHRBRCA1
SCHEMBL17451695 0.87 PLA2G2A (0.38) ALDH1A1MEN1POLBTSHRBRCA1
SCHEMBL17451670 0.85 L3MBTL1 (0.40) ALDH1A1MEN1POLBTSHRBRCA1
SCHEMBL26430771 0.84 KDM4E (0.36) ALDH1A1MEN1POLBTSHRBRCA1
SCHEMBL17451678 0.84 ALDH1A1 (0.35) ALDH1A1MEN1POLBTSHRBRCA1
SCHEMBL17451685 0.83 ALDH1A1 (0.39) ALDH1A1MEN1POLBTSHRBRCA1
SCHEMBL17123104 0.83 L3MBTL1 (0.44) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL26430772 0.82 MEN1 (0.34) ALDH1A1MEN1POLBTSHRBRCA1
SCHEMBL17451694 0.82 PLA2G2A (0.38) ALDH1A1MEN1POLBTSHRBRCA1
SCHEMBL17123114 0.82 L3MBTL1 (0.39) ALDH1A1MEN1KMT2AHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9799835-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2017-10-24 US disclosed
US-9799835-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2017-10-24 US disclosed
US-20160020410-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2016-01-21 US disclosed
US-20160020410-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2016-01-21 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-20160020410-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF OR51E2, NFE2L2, ORAI2 ALDH1A1 1349/4885MEN1 1193/4885POLB 2585/4885

“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.