SCHEMBL4828637

SCHEMBL4828637

C(=Cc1ccc(-c2c3ccccc3c(-c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)c3ccccc23)cc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.49
CYP19A1 P11511 3/20 0.47
CYP11B2 P19099 2/20 0.47
PTGS2 P35354 4/20 0.45
ESR2 Q92731 1/20 0.40
HDAC1 Q13547 1/20 0.39
CYP2D6 P10635 1/20 0.38
NFE2L2 Q16236 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
AKR1C1 Q04828 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
SCHEMBL4828631 1.00 ESR1 (0.49) ESR1CYP19A1CYP11B2PTGS2ESR2
SCHEMBL76484 0.93 CYP19A1 (0.53) ESR1CYP19A1CYP11B2PTGS2ESR2
SCHEMBL29416717 0.93 CYP19A1 (0.53) ESR1CYP19A1CYP11B2PTGS2ESR2
SCHEMBL2322371 0.91 ESR1 (0.58) ESR1CYP19A1CYP11B2PTGS2ESR2
SCHEMBL4826058 0.91 CYP19A1 (0.52) ESR1CYP19A1CYP11B2PTGS2ESR2
SCHEMBL13513171 0.87 ALDH1A1 (0.49) ESR1CYP19A1CYP11B2PTGS2
SCHEMBL2085344 0.85 PTGS2 (0.55) ESR1CYP19A1CYP11B2PTGS2ESR2
SCHEMBL13511000 0.85 PTGS2 (0.55) ESR1CYP19A1CYP11B2PTGS2ESR2
SCHEMBL2085977 0.84 CYP19A1 (0.45) ESR1CYP19A1CYP11B2PTGS2ESR2
SCHEMBL5440826 0.84 CYP19A1 (0.63) ESR1CYP19A1CYP11B2PTGS2ESR2

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 ESR1 333/4885CYP19A1 2017/4885CYP11B2 2137/4885

“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.