SCHEMBL2085352

SCHEMBL2085352

C(=C(c1ccccc1)c1ccccc1)c1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.42
CYP11B2 P19099 2/20 0.42
PTGS2 P35354 3/20 0.41
ESR1 P03372 3/20 0.40
GPR84 Q9NQS5 1/20 0.38
ESR2 Q92731 2/20 0.38
RELA Q04206 1/20 0.38
ALOX5 P09917 2/20 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
SCHEMBL19639003 0.97 CYP19A1 (0.42) CYP19A1CYP11B2PTGS2ESR1GPR84
SCHEMBL16231505 0.90 ESR1 (0.36) CYP19A1CYP11B2PTGS2ESR1ALOX5
SCHEMBL76484 0.87 CYP19A1 (0.53) CYP19A1CYP11B2PTGS2ESR1ESR2
SCHEMBL29416717 0.87 CYP19A1 (0.53) CYP19A1CYP11B2PTGS2ESR1ESR2
SCHEMBL13656641 0.86 CYP19A1 (0.35) CYP19A1CYP11B2PTGS2ESR1GPR84
SCHEMBL987188 0.86 ALOX5 (0.47) CYP19A1CYP11B2PTGS2ESR1GPR84
SCHEMBL4826058 0.86 CYP19A1 (0.52) CYP19A1CYP11B2PTGS2ESR1ESR2
SCHEMBL13511074 0.86 CYP19A1 (0.36) CYP19A1CYP11B2PTGS2ESR1RELA
SCHEMBL13656643 0.85 CYP19A1 (0.34) CYP19A1CYP11B2PTGS2ESR1GPR84
SCHEMBL2086861 0.84 CYP19A1 (0.44) CYP19A1CYP11B2PTGS2ESR1ESR2

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
US-20110049482-A1 Novel aromatic compound and organic electroluminescent element containing the same IDEMITSU KOSAN CO., LTD. (JP) 2011-03-03 US disclosed
US-7790892-B2 Aromatic compound and organic electroluminescent element containing the same IDEMITSU KOSAN CO., LTD. (JP) 2010-09-07 US disclosed
US-20050214565-A1 Novel aromatic compound and organic electroluminescent element containing the same IDEMITSU KOSAN CO., LTD. (JP) 2005-09-29 US disclosed
EP-1496041-A1 NOVEL AROMATIC COMPOUND AND ORGANIC ELECTROLUMINESCNET ELEMENT CONTAINING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2005-01-12 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-20110049482-A1 Novel aromatic compound and organic electroluminescent element containing the same TYR, EML4, TCF7L2 CYP19A1 299/4885CYP11B2 1638/4885PTGS2 4662/4885

“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.