SCHEMBL13508378

SCHEMBL13508378

C(=C1/c2ccccc2COc2ccccc21)\c1ccc(N(c2ccc(/C=C3/c4ccccc4COc4ccccc43)cc2)c2ccc(/C=C3/c4ccccc4COc4ccccc43)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 5/20 0.50
HRH1 P35367 3/20 0.50
KMT2A Q03164 3/20 0.50
KCNH2 Q12809 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 2/20 0.50
SLC22A1 O15245 1/20 0.50
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
HTR1A P08908 1/20 0.50
CHRM5 P08912 1/20 0.50
ADRA2A P08913 1/20 0.50
CHRM1 P11229 1/20 0.50
DRD2 P14416 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
CHRM3 P20309 1/20 0.50
DRD1 P21728 1/20 0.50
DRD4 P21917 1/20 0.50
DRD5 P21918 1/20 0.50

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
SCHEMBL13508461 0.86 MAOB (0.39) HTR2BHRH1KMT2AKCNH2ALDH1A1
SCHEMBL13508410 0.81 MAOB (0.48) KMT2AALDH1A1MEN1LMNACYP1A2
SCHEMBL13508434 0.81 CYP19A1 (0.44) HTR2BHRH1KMT2AKCNH2ALDH1A1
SCHEMBL13508455 0.81 MIF (0.54) KMT2AALDH1A1MEN1LMNACYP1A2
SCHEMBL13508401 0.75 CYP19A1 (0.55) KMT2AALDH1A1MEN1LMNACYP1A2
SCHEMBL12998636 0.75 MIF (0.55) HTR2BHRH1KMT2AKCNH2ALDH1A1
SCHEMBL4167023 0.74 NR3C2 (0.46) HTR2BHRH1KMT2AKCNH2ALDH1A1
SCHEMBL4167020 0.74 NR3C2 (0.46) HTR2BHRH1KMT2AKCNH2ALDH1A1
SCHEMBL4999010 0.73 HTR2B (0.55) HTR2BHRH1KMT2AKCNH2ALDH1A1
SCHEMBL4173944 0.73 HTR2B (0.55) HTR2BHRH1KMT2AKCNH2ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761962-B1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2010-02-03 EP disclosed
US-20090159874-A1 Organic electroluminescent devices MERCK PATENT GMBH (DE) 2009-06-25 US disclosed
US-20090159874-A1 Organic electroluminescent devices MERCK PATENT GMBH (DE) 2009-06-25 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-20090159874-A1 Organic electroluminescent devices LEF1, NCS1, CRY1 HTR2B 2687/4885HRH1 4047/4885KMT2A 2549/4885

“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.