SCHEMBL19933801

SCHEMBL19933801

c1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4)cc(-c4ccccc4-c4ccc(-c5nc(-c6ccc(-c7ccccc7-c7cc(-c8ccccc8-c8ccc(-c9ccccn9)cc8)cc(-c8ccccc8-c8ccc(-c9ccccn9)cc8)c7)cc6)nc(-c6ccc(-c7ccccc7-c7cc(-c8ccccc8-c8ccc(-c9ccccn9)cc8)cc(-c8ccccc8-c8ccc(-c9ccccn9)cc8)c7)cc6)n5)cc4)c3)cc2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
TDP1 Q9NUW8 2/20 0.52
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
LMNA P02545 3/20 0.43
CCR1 P32246 2/20 0.43
CCR5 P51681 2/20 0.43
CCR8 P51685 2/20 0.43
CYP1A2 P05177 2/20 0.43
POLB P06746 1/20 0.43
METAP1 P53582 1/20 0.43
BLM P54132 1/20 0.43
HIF1A Q16665 1/20 0.43
DOHH Q9BU89 1/20 0.43
P4HTM Q9NXG6 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL19794527 0.95 RAB9A (0.48) KDM4ETDP1NPC1RAB9ALMNA
SCHEMBL19794394 0.91 KDM4E (0.52) KDM4ETDP1NPC1RAB9ALMNA
SCHEMBL19933639 0.89 NPC1 (0.56) KDM4ETDP1NPC1RAB9ACYP1A2
SCHEMBL19794525 0.89 HPGDS (0.43) KDM4ETDP1NPC1RAB9ALMNA
SCHEMBL17720989 0.88 KDM4E (0.55) KDM4ETDP1NPC1RAB9ALMNA
SCHEMBL19794519 0.87 KDM4E (0.63) KDM4ETDP1NPC1RAB9ALMNA
SCHEMBL25070279 0.87 TGFBR1 (0.49) KDM4ENPC1RAB9ALMNACCR1
SCHEMBL17343252 0.87 KDM4E (0.57) KDM4ETDP1NPC1RAB9ALMNA
SCHEMBL17932569 0.87 KDM4E (0.67) KDM4ETDP1NPC1RAB9ALMNA
SCHEMBL20068811 0.87 CHEK2 (0.47) KDM4ETDP1NPC1RAB9ALMNA

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
EP-3507294-B1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-02-24 EP disclosed
US-10889604-B2 Binuclear and trinuclear metal complexes composed of two inter-linked tripodal hexadentate ligands for use in electroluminescent devices MERCK PATENT GMBH 2021-01-12 US disclosed
US-20190202851-A1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-07-04 US disclosed
WO-2018041769-A1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-03-08 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 (2 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-20190202851-A1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES PARN, PUF60, PARG KDM4E 4048/4885TDP1 1791/4885NPC1 4603/4885
US-10889604-B2 Binuclear and trinuclear metal complexes composed of two inter-linked tripodal hexadentate ligands for use in electroluminescent devices PARN, PUF60, PARG KDM4E 4048/4885TDP1 1791/4885NPC1 4603/4885

“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.