SCHEMBL1103528

SCHEMBL1103528

c1ccc(-c2ccc3cc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5c4cnc4ccccc45)ccc3c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.43
ESR2 Q92731 4/20 0.43
PIK3CD O00329 2/20 0.43
PIK3CA P42336 2/20 0.43
PIK3CB P42338 1/20 0.43
MTOR P42345 1/20 0.43
PIK3CG P48736 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
CYP17A1 P05093 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
KDM4E B2RXH2 2/20 0.39
GPR3 P46089 1/20 0.39
MET P08581 2/20 0.39

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
SCHEMBL1103505 0.97 PIK3CD (0.41) ESR1ESR2PIK3CDPIK3CAPIK3CB
SCHEMBL1103510 0.97 PIK3CD (0.41) ESR1ESR2PIK3CDPIK3CAPIK3CB
SCHEMBL1103385 0.97 ESR1 (0.47) ESR1ESR2PIK3CDPIK3CAPIK3CB
SCHEMBL1103500 0.97 ESR1 (0.47) ESR1ESR2PIK3CDPIK3CAPIK3CB
SCHEMBL1103384 0.97 ESR1 (0.47) ESR1ESR2PIK3CDPIK3CAPIK3CB
SCHEMBL1103470 0.97 ESR1 (0.47) ESR1ESR2PIK3CDPIK3CAPIK3CB
SCHEMBL1103366 0.97 PIK3CD (0.42) ESR1ESR2PIK3CDPIK3CAPIK3CB
SCHEMBL1103448 0.96 ESR1 (0.48) ESR1ESR2PIK3CDPIK3CAPIK3CB
SCHEMBL1103485 0.96 ESR1 (0.48) ESR1ESR2PIK3CDPIK3CAPIK3CB
SCHEMBL1103381 0.96 ESR1 (0.48) ESR1ESR2PIK3CDPIK3CAPIK3CB

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 5 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
EP-2147962-A1 Azaanthracene-derivatives and organic electroluminescent device using the same Gracel Display Inc. (KR) 2010-01-27 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-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same ORMDL3, OCIAD2, OCIAD1 ESR1 1038/4885ESR2 576/4885PIK3CD 1649/4885

“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.