SCHEMBL17996243

SCHEMBL17996243

c1ccc2c(-c3cc(-c4cccc5ccccc45)nc(-c4ccc(-c5cccc6c(-c7ccc(-c8nc(-c9cccc%10ccccc9%10)cc(-c9cccc%10ccccc9%10)n8)cc7)cccc56)cc4)n3)cccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.51
ENPP1 P22413 1/20 0.51
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA9 Q16790 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
HPGD P15428 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPK1 P28482 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47

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
SCHEMBL10051197 0.94 MEN1 (0.49) ENPP3ENPP1HDAC8HDAC6MEN1
SCHEMBL23921198 0.93 ENPP1 (0.50) ENPP3ENPP1HDAC8HDAC6MEN1
SCHEMBL17969997 0.93 MEN1 (0.53) ENPP3ENPP1HDAC8HDAC6MEN1
SCHEMBL17969950 0.93 MEN1 (0.53) ENPP3ENPP1HDAC8HDAC6MEN1
SCHEMBL23921114 0.92 MEN1 (0.51) ENPP3ENPP1HDAC8HDAC6MEN1
SCHEMBL25685272 0.91 ALDH1A1 (0.51) ENPP3ENPP1HDAC8HDAC6MEN1
SCHEMBL12306182 0.91 ALDH1A1 (0.54) ENPP3ENPP1MEN1KMT2ACA12
SCHEMBL17969914 0.91 ALDH1A1 (0.57) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL12306184 0.91 ALDH1A1 (0.57) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL17969916 0.91 PIM1 (0.53) ENPP3ENPP1HDAC8HDAC6MEN1

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-9954181-B2 Hetero-cyclic compound and organic light emitting device comprising the same LG CHEM, LTD. (KR) 2018-04-24 US disclosed
US-9954181-B2 Hetero-cyclic compound and organic light emitting device comprising the same LG CHEM, LTD. (KR) 2018-04-24 US disclosed
US-20160233430-A1 HETERO-CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME (As Amended) LG CHEM, LTD. (KR) 2016-08-11 US disclosed
US-20160233430-A1 HETERO-CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME (As Amended) LG CHEM, LTD. (KR) 2016-08-11 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-20160233430-A1 HETERO-CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME (As Amended) CRY1, CRY2, PER2 ENPP3 2106/4885ENPP1 1875/4885HDAC8 2653/4885

“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.