SCHEMBL17829321

SCHEMBL17829321

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5ccc(-c6ccc(-c7cccc8cccnc78)cc6)cc5c4)cc3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
TP53 P04637 2/20 0.44
MMP9 P14780 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MMP2 P08253 2/20 0.44
GMNN O75496 1/20 0.44
LMNA P02545 1/20 0.44
HSP90AA1 P07900 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
MMP8 P22894 1/20 0.44
CCR1 P32246 1/20 0.44
THPO P40225 1/20 0.44
MTOR P42345 1/20 0.44
HTT P42858 1/20 0.44
MMP13 P45452 1/20 0.44

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
SCHEMBL21131741 0.99 MMP9 (0.43) KDM4ETP53MMP9SMN1; SMN2MMP2
SCHEMBL21131854 0.97 BRD4 (0.45) KDM4ETP53MMP9SMN1; SMN2MMP2
SCHEMBL17829343 0.96 KDM4E (0.46) KDM4ETP53MMP9SMN1; SMN2MMP2
SCHEMBL20226100 0.94 KDM4E (0.44) KDM4ETP53MMP9SMN1; SMN2MMP2
SCHEMBL17829322 0.93 TOP1 (0.49) KDM4ETP53MMP9SMN1; SMN2MMP2
SCHEMBL17829327 0.93 TOP1 (0.49) KDM4ETP53MMP9SMN1; SMN2MMP2
SCHEMBL22071902 0.93 TDP1 (0.46) KDM4ETP53MMP9SMN1; SMN2MMP2
SCHEMBL17755351 0.93 KDM4E (0.46) KDM4ETP53MMP9SMN1; SMN2MMP2
SCHEMBL17829454 0.93 BRD4 (0.48) KDM4ETP53MMP9SMN1; SMN2MMP2
SCHEMBL12580382 0.91 MMP2 (0.48) KDM4ETP53MMP9SMN1; SMN2MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11211563-B2 Organic light emitting device LG CHEM, LTD. (KR) 2021-12-28 US disclosed
US-20190198766-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2019-06-27 US disclosed
US-9502669-B2 Organic light emitting diode LG CHEM, LTD. (KR) 2016-11-22 US disclosed
US-9502669-B2 Organic light emitting diode LG CHEM, LTD. (KR) 2016-11-22 US disclosed
US-20160293852-A1 ORGANIC LIGHT EMITTING DIODE LG CHEM, LTD. (KR) 2016-10-06 US disclosed
US-20160293852-A1 ORGANIC LIGHT EMITTING DIODE LG CHEM, LTD. (KR) 2016-10-06 US disclosed
US-20160172598-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2016-06-16 US disclosed
US-20160172598-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2016-06-16 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-20160172598-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME CRY1, CRY2, PER2 KDM4E 1590/4885TP53 2330/4885MMP9 3689/4885

“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.