SCHEMBL17017648

SCHEMBL17017648

c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-n4c5ccccc5c5c6ccn(-c7ccccc7)c6ccc54)nc4ccccc34)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 3/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 4/20 0.38
LMNA P02545 1/20 0.38
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPK1 P28482 2/20 0.32
ATM Q13315 2/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NUDT1 P36639 3/20 0.32
ADORA2A P29274 1/20 0.32
KMT2A Q03164 3/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 2/20 0.31
IL1R1 P14778 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
SCHEMBL17017632 0.95 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL17017645 0.93 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL17017627 0.93 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL17017652 0.91 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL17017649 0.90 KDM4E (0.34) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL17017698 0.89 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL17017636 0.88 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL17017631 0.87 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL17017634 0.87 KDM4E (0.36) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL15596413 0.87 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDMAPTNPSR1

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-9905777-B2 Compound and organic electroluminescence device comprising same DOOSAN CORPORATION (KR) 2018-02-27 US disclosed
US-9905777-B2 Compound and organic electroluminescence device comprising same DOOSAN CORPORATION (KR) 2018-02-27 US disclosed
US-20150236271-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING SAME DOOSAN CORPORATION (KR) 2015-08-20 US disclosed
US-20150236271-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING SAME DOOSAN CORPORATION (KR) 2015-08-20 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-20150236271-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING SAME OR10J3, VDAC1, VDAC2 ALDH1A1 373/4885KDM4E 849/4885HPGD 3474/4885

“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.