SCHEMBL1103457

SCHEMBL1103457

c1ccc(-c2c3ccccc3c(-c3ccc4cc(-c5c6ccccc6c(-c6cccc7ccccc67)c6c5cnc5ccccc56)ccc4c3)c3cnc4ccccc4c23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.42
ESR2 Q92731 5/20 0.42
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
MET P08581 2/20 0.39
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
MTOR P42345 1/20 0.37
PIK3CG P48736 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36

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
SCHEMBL1103579 0.95 MAPT (0.41) ESR1ESR2MAPTSMN1; SMN2NPC1
SCHEMBL1103388 0.95 MET (0.44) ESR1ESR2MAPTSMN1; SMN2NPC1
SCHEMBL1103453 0.95 MET (0.42) ESR1ESR2MAPTSMN1; SMN2NPC1
SCHEMBL1103476 0.94 ESR1 (0.41) ESR1ESR2MAPTSMN1; SMN2NPC1
SCHEMBL1103451 0.94 MAPT (0.42) ESR1ESR2MAPTSMN1; SMN2NPC1
SCHEMBL1103566 0.93 MET (0.42) ESR1ESR2MAPTSMN1; SMN2NPC1
SCHEMBL1103575 0.93 MET (0.46) ESR1ESR2MAPTSMN1; SMN2NPC1
SCHEMBL1103580 0.93 MET (0.43) ESR1ESR2MAPTSMN1; SMN2NPC1
SCHEMBL1103469 0.93 MAPT (0.41) ESR1ESR2MAPTSMN1; SMN2NPC1
SCHEMBL1103504 0.92 MET (0.45) ESR1ESR2MAPTSMN1; SMN2NPC1

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 576/4885MAPT 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.