SCHEMBL19933730

SCHEMBL19933730

Cc1cc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5cnc(-c6ccc(-c7ccccc7-c7cc(-c8ccccc8-c8ccc(-c9cc(C)c(-c%10ccc(F)cc%10)cn9)cc8)cc(-c8ccccc8-c8ccc(-c9cc(C)c(-c%10ccc(F)cc%10)cn9)cc8)c7)cc6)cn5)cc4)cc(-c4ccccc4-c4ccc(-c5cc(C)c(-c6ccc(F)cc6)cn5)cc4)c3)cc2)ncc1-c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.42
FEN1 P39748 5/20 0.41
ALOX5AP P20292 4/20 0.41
PTGS2 P35354 1/20 0.39
TOP1 P11387 2/20 0.38
ALDH1A3 P47895 1/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAOB P27338 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
ADORA1 P30542 1/20 0.38
TGFBR1 P36897 2/20 0.37
NR3C1 P04150 1/20 0.37
PGR P06401 1/20 0.37

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
SCHEMBL20068726 0.92 LDHA (0.43) LDHAFEN1ALOX5APPTGS2TOP1
SCHEMBL19833339 0.91 LDHA (0.40) LDHAFEN1ALOX5APPTGS2TOP1
SCHEMBL19794359 0.90 LDHA (0.48) LDHAFEN1ALOX5APPTGS2TOP1
SCHEMBL21721924 0.89 LDHA (0.39) LDHAFEN1ALOX5APPTGS2TOP1
SCHEMBL19833440 0.87 ABL1 (0.38) LDHANPC1RAB9ATGFBR1IDO1
SCHEMBL22699338 0.87 LDHA (0.53) LDHATOP1ALDH1A3MAPTNPC1
SCHEMBL18015452 0.84 LDHA (0.41) LDHAFEN1ALOX5APPTGS2TOP1
SCHEMBL18015378 0.84 TGFBR1 (0.38) LDHAFEN1ALOX5APPTGS2TOP1
SCHEMBL19794450 0.84 TGFBR1 (0.43) LDHAFEN1ALOX5APTOP1MAPT
SCHEMBL19833340 0.82 LPL (0.45) LDHAFEN1ALOX5APPTGS2TOP1

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 2820/4885FEN1 681/4885ALOX5AP 3820/4885
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 2820/4885FEN1 681/4885ALOX5AP 3820/4885

“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.