SCHEMBL19933598

SCHEMBL19933598

Cc1cc(-c2ccc(-c3cc(C(C)(C)C)ccc3C3CC(c4ccccc4-c4ccc(-c5cc(-c6ccc(-c7ccccc7C7CC(c8ccc(C(C)(C)C)cc8-c8ccc(-c9cc(C)c(-c%10ccccc%10)cn9)cc8)CC(c8ccc(C(C)(C)C)cc8-c8ccc(-c9cc(C)c(-c%10ccccc%10)cn9)cc8)C7)cc6)ncn5)cc4)CC(c4ccc(C(C)(C)C)cc4-c4ccc(-c5cc(C)c(-c6ccccc6)cn5)cc4)C3)cc2)ncc1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.36
ALOX5AP P20292 2/20 0.35
FEN1 P39748 1/20 0.35
FAAH O00519 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.31
TRPV1 Q8NER1 2/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 1/20 0.30
DGAT1 O75907 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30

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
SCHEMBL19781101 0.96 LDHA (0.38) LDHAALOX5APFEN1IRAK4CHRNB2
SCHEMBL21477352 0.91 LDHA (0.35) LDHAALOX5APFEN1IRAK4CHRNB2
SCHEMBL21480913 0.91 LDHA (0.35) LDHAALOX5APFEN1IRAK4CHRNB2
SCHEMBL21125939 0.91 ALOX5AP (0.37) ALOX5APFEN1FAAHTRPV1CHRNB2
SCHEMBL19780939 0.88 LDHA (0.36) LDHAIRAK4LMNANPSR1
SCHEMBL21125090 0.87 ALOX5AP (0.35) ALOX5APFEN1FAAHTRPV1NPSR1
SCHEMBL19781102 0.87 LDHA (0.38) LDHAALOX5APFEN1IRAK4DGAT1
SCHEMBL21125651 0.87 LDHA (0.33) LDHA
SCHEMBL21480911 0.82
SCHEMBL21125634 0.81 ALOX5AP (0.34) ALOX5APFEN1TRPV1ALDH1A1ADRA2A

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 LDHA 2820/4885ALOX5AP 3820/4885FEN1 681/4885
US-10889604-B2 Binuclear and trinuclear metal complexes composed of two inter-linked tripodal hexadentate ligands for use in electroluminescent devices PARN, PUF60, PARG LDHA 2820/4885ALOX5AP 3820/4885FEN1 681/4885

“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.