SCHEMBL4828680

SCHEMBL4828680

C(=C(c1ccccc1)c1ccccc1)c1cccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cccc(C=C(c6ccccc6)c6ccccc6)c5)cc4)c4ccccc34)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.43
TRIM33 Q9UPN9 1/20 0.43
ESR1 P03372 1/20 0.42
CYP19A1 P11511 2/20 0.41
CYP11B2 P19099 2/20 0.41
KMO O15229 1/20 0.39
TP53 P04637 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
PTGS2 P35354 2/20 0.37
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
BCL2L1 Q07817 1/20 0.35
BAD Q92934 1/20 0.35
AKR1C1 Q04828 1/20 0.35

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
SCHEMBL4827188 0.98 TRIM24 (0.42) TRIM24TRIM33ESR1CYP19A1CYP11B2
SCHEMBL2086861 0.89 CYP19A1 (0.44) TRIM24TRIM33ESR1CYP19A1CYP11B2
SCHEMBL4820461 0.86 CYP19A1 (0.44) ESR1CYP19A1CYP11B2TP53PTGS2
SCHEMBL13697102 0.86 CYP19A1 (0.39) TRIM24TRIM33ESR1CYP19A1CYP11B2
SCHEMBL2322371 0.85 ESR1 (0.58) ESR1CYP19A1CYP11B2PTGS2ALDH1A1
SCHEMBL4826058 0.85 CYP19A1 (0.52) ESR1CYP19A1CYP11B2TP53PTGS2
SCHEMBL2085977 0.84 CYP19A1 (0.45) ESR1CYP19A1CYP11B2KMOTP53
SCHEMBL76484 0.83 CYP19A1 (0.53) ESR1CYP19A1CYP11B2TP53PTGS2
SCHEMBL29416717 0.83 CYP19A1 (0.53) ESR1CYP19A1CYP11B2TP53PTGS2
SCHEMBL4828686 0.83 ESR1 (0.41) TRIM24TRIM33ESR1CYP19A1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080193799-A1 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2008-08-14 US disclosed
US-7361796-B2 Orangic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2008-04-22 US disclosed
US-7053255-B2 Substituted diphenylanthracene compounds for organic electroluminescence devices IDEMITSU KOSAN CO., LTD. (JP) 2006-05-30 US disclosed
US-20060083947-A1 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2006-04-20 US disclosed
US-20040214035-A1 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. 2004-10-28 US disclosed
EP-1333018-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2003-08-06 EP 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-20080193799-A1 Organic electroluminescence device EED, KCNH2, DCX TRIM24 2408/4885TRIM33 2991/4885ESR1 333/4885

“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.