SCHEMBL17856752

SCHEMBL17856752

c1ccc(-n2c(-c3ccc(-c4ccc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)c5sc(-c6ccc(-c7cccc8c7sc7ccccc78)cc6)nc45)cc3)nc3ccccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
RECQL P46063 1/20 0.39
GRIA1 P42261 1/20 0.38
CACNG8 Q8WXS5 1/20 0.38
CACNG2 Q9Y698 1/20 0.38
ALOX5 P09917 1/20 0.38
PTGS2 P35354 1/20 0.35
HTT P42858 2/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HSP90AA1 P07900 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 6/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
RAB9A P51151 1/20 0.34
PRKACA P17612 1/20 0.34

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
SCHEMBL17856686 1.00 ESR1 (0.41) ESR1ESR2RECQLGRIA1CACNG8
SCHEMBL17856744 0.97 ESR1 (0.40) ESR1ESR2RECQLGRIA1CACNG8
SCHEMBL17856584 0.95 ESR1 (0.41) ESR1ESR2RECQLGRIA1CACNG8
SCHEMBL30350267 0.91 ESR1 (0.48) ESR1ESR2RECQLGRIA1CACNG8
SCHEMBL430153 0.91 ESR1 (0.48) ESR1ESR2RECQLGRIA1CACNG8
SCHEMBL17856740 0.89 ESR2 (0.50) ESR1ESR2RECQLGRIA1CACNG8
SCHEMBL17856652 0.89 ESR1 (0.39) ESR1ESR2RECQLGRIA1CACNG8
SCHEMBL17856750 0.89 ESR1 (0.39) ESR1ESR2RECQLGRIA1CACNG8
SCHEMBL17856742 0.89 ESR1 (0.41) ESR1ESR2RECQLGRIA1CACNG8
SCHEMBL17856782 0.89 ESR1 (0.41) ESR1ESR2RECQLGRIA1CACNG8

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-9966538-B2 Compound, light-emitting element and electronic device comprising same LMS CO., LTD. (KR) 2018-05-08 US disclosed
US-9966538-B2 Compound, light-emitting element and electronic device comprising same LMS CO., LTD. (KR) 2018-05-08 US disclosed
US-20160181544-A1 Novel Compound, Light-Emitting Element and Electronic Device Comprising Same LMS CO., LTD. (KR) 2016-06-23 US disclosed
US-20160181544-A1 Novel Compound, Light-Emitting Element and Electronic Device Comprising Same LMS CO., LTD. (KR) 2016-06-23 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-20160181544-A1 Novel Compound, Light-Emitting Element and Electronic Device Comprising Same HSF1, CRY1, NFE2L2 ESR1 28/4885ESR2 66/4885RECQL 852/4885

“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.