SCHEMBL20152216

SCHEMBL20152216

c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccc(-c7nc8ccccc8n7-c7ccccc7)cc6)c5ccc43)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.53
ESR2 Q92731 1/20 0.53
GRIA1 P42261 1/20 0.46
CACNG8 Q8WXS5 1/20 0.46
CACNG2 Q9Y698 1/20 0.46
HTT P42858 2/20 0.44
MAPK1 P28482 1/20 0.44
PTGS2 P35354 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HSP90AA1 P07900 1/20 0.42
MAPT P10636 1/20 0.42
PTGER4 P35408 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.39

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
SCHEMBL20152220 0.96 ESR1 (0.56) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL18708370 0.91 ESR1 (0.63) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL20152196 0.91 ESR1 (0.59) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL20776021 0.89 ESR1 (0.55) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL20152231 0.89 ESR2 (0.65) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL26011215 0.88 ESR1 (0.57) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL25966358 0.88 L3MBTL1 (0.50) HTTMAPK1MEN1KMT2AMAPT
SCHEMBL20776087 0.88 ESR1 (0.63) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL23598390 0.88 L3MBTL1 (0.49) HTTMAPK1MEN1KMT2AMAPT
SCHEMBL20152142 0.88 L3MBTL1 (0.44) ESR1ESR2HTTMEN1KMT2A

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
US-10662196-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2020-05-26 US disclosed
US-20180134718-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2018-05-17 US disclosed
US-20180134718-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2018-05-17 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 (2 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-10662196-B2 Organic electroluminescent materials and devices OCIAD2, OCIAD1, SLCO4C1 ESR1 949/4885ESR2 1843/4885GRIA1 1800/4885
US-20180134718-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, SLCO4C1 ESR1 949/4885ESR2 1843/4885GRIA1 1800/4885

“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.