SCHEMBL1103076

SCHEMBL1103076

c1ccc(-c2c3ccccc3c(-c3ccc4cc(-c5c6ccccc6c(-c6cccc7ccccc67)c6ncccc56)ccc4c3)c3cccnc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.40
ESR2 Q92731 3/20 0.40
MAPT P10636 4/20 0.38
KDM4E B2RXH2 3/20 0.38
CCR1 P32246 3/20 0.38
CCR8 P51685 3/20 0.38
TP53 P04637 2/20 0.38
TSHR P16473 2/20 0.38
NFKB1 P19838 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP3A4 P08684 2/20 0.38
GMNN O75496 1/20 0.38
LMNA P02545 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MMP2 P08253 1/20 0.38
CYP2D6 P10635 1/20 0.38
MMP9 P14780 1/20 0.38
ALOX15 P16050 1/20 0.38
MMP8 P22894 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
SCHEMBL1103210 0.95 CYP17A1 (0.39) ESR1ESR2MAPTKDM4ECCR1
SCHEMBL1102982 0.95 ESR1 (0.40) ESR1ESR2MAPTKDM4ECCR1
SCHEMBL1103089 0.95 CCR1 (0.42) MAPTKDM4ECCR1CCR8TP53
SCHEMBL1103106 0.93 ESR1 (0.40) ESR1ESR2MAPTKDM4ECCR1
SCHEMBL1103095 0.93 KDM4E (0.40) ESR1ESR2MAPTKDM4ECCR1
SCHEMBL1103196 0.92 CYP17A1 (0.42) ESR1ESR2MAPTKDM4ECCR1
SCHEMBL1103209 0.92 CYP17A1 (0.41) MAPTKDM4ECCR1CCR8TP53
SCHEMBL1103204 0.92 CCR1 (0.40) MAPTKDM4ECCR1CCR8TP53
SCHEMBL1103102 0.92 KDM4E (0.40) ESR1ESR2MAPTKDM4ECCR1
SCHEMBL1103211 0.91 PIM1 (0.40) ESR1ESR2MAPTKDM4ECCR1

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-8153279-B2 Organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2012-04-10 US disclosed
US-8153279-B2 Organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2012-04-10 US disclosed
US-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 US disclosed
US-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 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-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same ORMDL3, OCIAD2, OCIAD1 ESR1 1038/4885ESR2 576/4885MAPT 3162/4885

“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.