SCHEMBL2453077

SCHEMBL2453077

[c]1ccc2cc(-c3cccc(-c4ccccc4)c3)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.48
ESR2 Q92731 4/20 0.48
HSD17B1 P14061 2/20 0.43
HSD17B2 P37059 2/20 0.43
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2B6 P20813 1/20 0.40
CYP2C19 P33261 1/20 0.40
BACE1 P56817 1/20 0.40
PGR P06401 1/20 0.39
NPC1 O15118 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP17A1 P05093 1/20 0.37
CYP19A1 P11511 1/20 0.37
MAOA P21397 1/20 0.36

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
SCHEMBL2447055 0.96 ESR1 (0.48) ESR1ESR2HSD17B1HSD17B2CYP11B1
SCHEMBL148071 0.96 ESR1 (0.52) ESR1ESR2HSD17B1HSD17B2CYP11B1
SCHEMBL2446899 0.96 ESR1 (0.52) ESR1ESR2HSD17B1HSD17B2CYP11B1
SCHEMBL2251915 0.89 ESR1 (0.48) ESR1ESR2HSD17B1HSD17B2CYP11B1
SCHEMBL2256257 0.89 ESR1 (0.48) ESR1ESR2HSD17B1HSD17B2CYP11B1
SCHEMBL2256245 0.89 ESR1 (0.50) ESR1ESR2HSD17B1HSD17B2CYP11B1
SCHEMBL2271000 0.86 ESR1 (0.50) ESR1ESR2HSD17B1HSD17B2CYP11B1
SCHEMBL1002340 0.84 ESR1 (0.40) ESR1ESR2HSD17B1HSD17B2CYP11B1
SCHEMBL2452660 0.84 GSTP1 (0.40) ESR1ESR2HSD17B1HSD17B2CYP1A2
SCHEMBL6533069 0.83 ESR1 (0.37) ESR1ESR2HSD17B1HSD17B2CYP11B1

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-1640430-B1 Luminescent material and organic electroluminescent device using the same JNC CORP (JP) 2011-09-21 EP disclosed
EP-2177586-A1 Luminescent material and organic electroluminescent device using the same CHISSO CORPORATION (JP) 2010-04-21 EP disclosed
EP-1640430-A1 Luminescent material and organic electroluminescent device using the same CHISSO CORPORATION (JP) 2006-03-29 EP disclosed
US-20060014046-A1 Luminescent material and organic electroluminescent device using the same CHISSO CORPORATION (JP) 2006-01-19 US 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-20060014046-A1 Luminescent material and organic electroluminescent device using the same C1S, EPB41, EPB41L2 ESR1 86/4885ESR2 482/4885HSD17B1 2770/4885

“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.