SCHEMBL19933657

SCHEMBL19933657

CC(C)(C)c1cc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5cnc(-c6ccc(-c7ccccc7-c7cc(-c8ccccc8-c8ccc(-c9cc(C(C)(C)C)ncn9)cc8)cc(-c8ccccc8-c8ccc(-c9cc(C(C)(C)C)ncn9)cc8)c7)cc6)cn5)cc4)cc(-c4ccccc4-c4ccc(-c5cc(C(C)(C)C)ncn5)cc4)c3)cc2)ncn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 9/20 0.39
FEN1 P39748 8/20 0.39
MIF P14174 1/20 0.35
ASIC3 Q9UHC3 1/20 0.35
FAAH O00519 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
PPARG P37231 1/20 0.33
MCL1 Q07820 1/20 0.33
NR2E3 Q9Y5X4 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
KMT2A Q03164 1/20 0.33
KMO O15229 1/20 0.33
DYRK1A Q13627 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL21125938 0.93 MIF (0.38) MIFASIC3FAAHNPC1RAB9A
SCHEMBL21721922 0.92 FAAH (0.36) ALOX5APFEN1MIFASIC3FAAH
SCHEMBL19933704 0.87 KMO (0.35) MIFASIC3FAAHKDM4EPOLB
SCHEMBL19933626 0.81 MAPK1 (0.42) MIFASIC3FAAHNPC1RAB9A
SCHEMBL21397864 0.81 TRPV1 (0.32) MIFASIC3FAAH
SCHEMBL21125465 0.80
SCHEMBL2129121 0.80 ASIC3 (0.53) MIFASIC3FAAHNPC1RAB9A
SCHEMBL19933829 0.79 LPL (0.39)
SCHEMBL29550010 0.78 ASIC3 (0.52) MIFASIC3FAAHNPC1RAB9A
SCHEMBL27932758 0.78 ASIC3 (0.52) MIFASIC3FAAHNPC1RAB9A

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 ALOX5AP 3820/4885FEN1 681/4885MIF 2707/4885
US-10889604-B2 Binuclear and trinuclear metal complexes composed of two inter-linked tripodal hexadentate ligands for use in electroluminescent devices PARN, PUF60, PARG ALOX5AP 3820/4885FEN1 681/4885MIF 2707/4885

“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.