SCHEMBL2452767

SCHEMBL2452767

[c]1ccccc1-c1cc(-c2ccccc2)cc(-c2ccc3ccccc3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.46
ESR2 Q92731 3/20 0.46
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
CYP17A1 P05093 1/20 0.41
CYP19A1 P11511 1/20 0.41
ALOX5 P09917 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
CYP1A2 P05177 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL15826005 0.90 ESR1 (0.52) ESR1ESR2HSD17B1HSD17B2CYP11B1
SCHEMBL8589112 0.90 ESR1 (0.50) ESR1ESR2HSD17B1HSD17B2CYP11B1
SCHEMBL8591437 0.88 ESR1 (0.52) ESR1ESR2HSD17B1HSD17B2CYP11B1
SCHEMBL948858 0.86 GSTP1 (0.45) ESR1ESR2HSD17B1HSD17B2CYP11B1
SCHEMBL2449602 0.86 ALDH1A1 (0.41) ALOX5CYP1A2SMN1; SMN2KDM4EMEN1
SCHEMBL23008065 0.82 ESR1 (0.64) ESR1ESR2HSD17B1HSD17B2CYP11B1
SCHEMBL28102212 0.82 ESR1 (0.64) ESR1ESR2HSD17B1HSD17B2CYP11B1
SCHEMBL21295939 0.80 ESR1 (0.39) ESR1ESR2HSD17B1HSD17B2CYP11B1
SCHEMBL589437 0.80 MAOA (0.41) ESR1ALOX5MEN1ALDH1A1KMT2A
SCHEMBL26567 0.80 MAOA (0.41) ESR1ALOX5MEN1ALDH1A1KMT2A

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.