SCHEMBL4828677

SCHEMBL4828677

C(=C(c1ccccc1)c1ccccc1)c1cccc(-c2c3ccccc3c(-c3cccc(C=C(c4ccccc4)c4ccccc4)c3)c3c(-c4ccccc4)cccc23)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.37
CYP19A1 P11511 2/20 0.37
CYP11B2 P19099 2/20 0.37
PTGS2 P35354 1/20 0.33
NAT1 P18440 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
MMP9 P14780 1/20 0.32
ATM Q13315 1/20 0.31
AKR1C1 Q04828 1/20 0.31
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
CYP2D6 P10635 1/20 0.31
ENPP1 P22413 1/20 0.30
TRIM24 O15164 1/20 0.30
TRIM33 Q9UPN9 1/20 0.30

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
SCHEMBL4828755 0.90 ALDH1A1 (0.35) ESR1CYP19A1CYP11B2MEN1KMT2A
SCHEMBL14510113 0.84 KDM4E (0.38) ESR1CYP19A1CYP11B2MEN1KMT2A
SCHEMBL4827188 0.83 TRIM24 (0.42) ESR1CYP19A1CYP11B2PTGS2MEN1
SCHEMBL4828686 0.83 ESR1 (0.41) ESR1CYP19A1CYP11B2PTGS2NAT1
SCHEMBL4828680 0.81 TRIM24 (0.43) ESR1CYP19A1CYP11B2PTGS2MEN1
SCHEMBL1103494 0.78 ALDH1A1 (0.41) ESR1CYP19A1CYP11B2ALDH1A1CDK4
SCHEMBL13697102 0.77 CYP19A1 (0.39) ESR1CYP19A1CYP11B2PTGS2MEN1
SCHEMBL1102929 0.76 CYP19A1 (0.51) ESR1CYP19A1CYP11B2CYP2D6
SCHEMBL13995067 0.76 CYP19A1 (0.36) ESR1CYP19A1CYP11B2PTGS2MEN1
SCHEMBL1103124 0.75 CYP19A1 (0.43) ESR1CYP19A1CYP11B2

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.