SCHEMBL1103399

SCHEMBL1103399

c1ccc(-c2ccc(-c3cccc(-c4c5ccccc5c(-c5ccccc5)c5c4cnc4ccccc45)c3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
HTT P42858 3/20 0.40
HPGD P15428 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ESR1 P03372 3/20 0.40
ESR2 Q92731 3/20 0.40
MAP4K4 O95819 1/20 0.38
PIK3CA P42336 2/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CB P42338 1/20 0.37
MTOR P42345 1/20 0.37
PIK3CG P48736 1/20 0.37
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 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
SCHEMBL1103392 0.98 ESR1 (0.41) ALDH1A1HTTHPGDNPSR1ESR1
SCHEMBL1103358 0.98 MAP4K4 (0.39) ALDH1A1HTTHPGDNPSR1ESR1
SCHEMBL1103267 0.97 ALDH1A1 (0.39) ALDH1A1HTTHPGDNPSR1ESR1
SCHEMBL1103483 0.95 ESR1 (0.42) ALDH1A1HTTHPGDNPSR1ESR1
SCHEMBL1103478 0.95 ESR1 (0.42) ALDH1A1HTTHPGDNPSR1ESR1
SCHEMBL1103380 0.92 ESR1 (0.41) ALDH1A1HTTHPGDNPSR1ESR1
SCHEMBL1103249 0.92 ESR1 (0.41) ALDH1A1HTTHPGDNPSR1ESR1
SCHEMBL1103464 0.92 ESR1 (0.41) ALDH1A1HTTHPGDNPSR1ESR1
SCHEMBL1103301 0.92 ESR1 (0.41) ALDH1A1HTTHPGDNPSR1ESR1
SCHEMBL1103387 0.92 ESR1 (0.44) ALDH1A1HTTHPGDESR1ESR2

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 ALDH1A1 1015/4885HTT 4390/4885HPGD 2787/4885

“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.