SCHEMBL1103392

SCHEMBL1103392

c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccccc4)c4c3cnc3ccccc34)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.41
ESR2 Q92731 3/20 0.41
ALDH1A1 P00352 4/20 0.40
HTT P42858 3/20 0.40
HPGD P15428 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ADORA2A P29274 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
SCHEMBL1103399 0.98 ALDH1A1 (0.40) ESR1ESR2ALDH1A1HTTHPGD
SCHEMBL1103267 0.98 ALDH1A1 (0.39) ESR1ESR2ALDH1A1HTTHPGD
SCHEMBL1103358 0.97 MAP4K4 (0.39) ESR1ESR2ALDH1A1HTTHPGD
SCHEMBL1103483 0.97 ESR1 (0.42) ESR1ESR2ALDH1A1HTTHPGD
SCHEMBL1103478 0.97 ESR1 (0.42) ESR1ESR2ALDH1A1HTTHPGD
SCHEMBL1103377 0.92 ESR1 (0.41) ESR1ESR2ALDH1A1HTTHPGD
SCHEMBL1103282 0.91 ESR1 (0.39) ESR1ESR2ALDH1A1HTTHPGD
SCHEMBL1103380 0.91 ESR1 (0.41) ESR1ESR2ALDH1A1HTTHPGD
SCHEMBL1103301 0.91 ESR1 (0.41) ESR1ESR2ALDH1A1HTTHPGD
SCHEMBL1103249 0.91 ESR1 (0.41) ESR1ESR2ALDH1A1HTTHPGD

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 576/4885ALDH1A1 1015/4885

“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.