SCHEMBL15930478

SCHEMBL15930478

c1ccc(-c2nc3ccccc3n2-c2cccc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.56
ESR2 Q92731 1/20 0.56
GAA P10253 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HDAC1 Q13547 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
KDM4E B2RXH2 2/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 2/20 0.46
MAPK1 P28482 1/20 0.46
GRIA1 P42261 1/20 0.45
CACNG8 Q8WXS5 1/20 0.45
CACNG2 Q9Y698 1/20 0.45
ALDH1A1 P00352 6/20 0.45
HPGD P15428 1/20 0.45
PTGER4 P35408 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL15930477 0.95 ESR1 (0.52) ESR1ESR2GAAMEN1KMT2A
SCHEMBL15930286 0.95 ESR1 (0.62) ESR1ESR2GAAMEN1KMT2A
SCHEMBL15446479 0.93 ESR1 (0.58) ESR1ESR2GAAMEN1KMT2A
SCHEMBL15930295 0.92 ESR1 (0.58) ESR1ESR2GAAMEN1KMT2A
SCHEMBL16485520 0.91 ESR1 (0.54) ESR1ESR2GAAMEN1KMT2A
SCHEMBL15207483 0.89 ESR1 (0.57) ESR1ESR2GAAMEN1KMT2A
SCHEMBL15446446 0.89 ESR1 (0.57) ESR1ESR2GAAMEN1KMT2A
SCHEMBL23072346 0.89 ESR1 (0.55) ESR1ESR2GAAMEN1KMT2A
SCHEMBL14728137 0.89 ESR1 (0.55) ESR1ESR2GAAMEN1KMT2A
SCHEMBL22618140 0.89 ESR1 (0.55) ESR1ESR2GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170365789-A1 COMPOUND, MIXTURE COMPRISING THE SAME, COMPOSITION AND ORGANIC ELECTRONIC DEVICE GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2017-12-21 US disclosed
US-20140217393-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT IDEMITSU KOSAN CO., LTD. 2014-08-07 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-20170365789-A1 COMPOUND, MIXTURE COMPRISING THE SAME, COMPOSITION AND ORGANIC ELECTRONIC DEVICE DDT, DRD3, ICMT ESR1 29/4885ESR2 323/4885GAA 4044/4885

“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.