SCHEMBL8780718

SCHEMBL8780718

c1ccc(-n2c3ccccc3c3cc(-c4cccc5cc6ccc7ccccc7c6cc45)ccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 3/20 0.40
CYP1A2 P05177 2/20 0.40
HPGD P15428 2/20 0.40
HIF1A Q16665 2/20 0.38
CYP1B1 Q16678 1/20 0.38
MCL1 Q07820 1/20 0.36
ACMSD Q8TDX5 1/20 0.36
PTGER4 P35408 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
PTGES O14684 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TLR4 O00206 1/20 0.33
ERBB2 P04626 1/20 0.33

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
SCHEMBL8780529 0.96 L3MBTL1 (0.47) L3MBTL1KDM4EATMALDH1A1HSD17B10
SCHEMBL8780702 0.95 KDM4E (0.44) L3MBTL1KDM4EATMALDH1A1HSD17B10
SCHEMBL8780539 0.91 KDM4E (0.45) L3MBTL1KDM4EATMALDH1A1HSD17B10
SCHEMBL8780705 0.89 ALDH1A1 (0.44) L3MBTL1KDM4EATMALDH1A1HSD17B10
SCHEMBL26887744 0.89 KDM4E (0.55) L3MBTL1KDM4EATMALDH1A1MCL1
SCHEMBL18717927 0.88 KDM4E (0.53) L3MBTL1KDM4EATMALDH1A1MCL1
SCHEMBL17789196 0.88 KDM4E (0.53) L3MBTL1KDM4EATMALDH1A1MCL1
SCHEMBL22705756 0.88 L3MBTL1 (0.44) L3MBTL1KDM4EATMALDH1A1MCL1
SCHEMBL22705874 0.87 L3MBTL1 (0.46) L3MBTL1KDM4EATMALDH1A1MCL1
SCHEMBL10130277 0.87 KDM4E (0.51) L3MBTL1KDM4EATMCYP1A2MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9499459-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2016-11-22 US disclosed
US-9499459-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2016-11-22 US disclosed
US-20120126180-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-05-24 US disclosed
US-20120126180-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-05-24 US disclosed
WO-2011012212-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2011-02-03 WO 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-20120126180-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MYB, L1CAM, SLC25A21 L3MBTL1 2809/4885KDM4E 2012/4885ATM 1965/4885

“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.