SCHEMBL21158040

SCHEMBL21158040

c1ccc(-c2nc(-c3cccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)c3)nc(-c3ccc4c(ccc5ccccc54)c3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HSP90AA1 P07900 1/20 0.43
MAPT P10636 1/20 0.43
GRIA1 P42261 1/20 0.42
CACNG8 Q8WXS5 1/20 0.42
CACNG2 Q9Y698 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
GAA P10253 2/20 0.41
PTGER4 P35408 1/20 0.40
HTT P42858 2/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 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
SCHEMBL21158036 0.93 ESR1 (0.50) ESR1ESR2MEN1KMT2AHSP90AA1
SCHEMBL21158033 0.92 ESR1 (0.45) ESR1ESR2MEN1KMT2AHSP90AA1
SCHEMBL19992798 0.91 ESR1 (0.52) ESR1ESR2MEN1KMT2AHSP90AA1
SCHEMBL10019144 0.90 ESR1 (0.50) ESR1ESR2MEN1KMT2AHSP90AA1
SCHEMBL10019152 0.90 ESR1 (0.52) ESR1ESR2MEN1KMT2AHSP90AA1
SCHEMBL22522566 0.90 ESR1 (0.58) ESR1ESR2MEN1KMT2AHSP90AA1
SCHEMBL19369875 0.90 ESR1 (0.58) ESR1ESR2MEN1KMT2AHSP90AA1
SCHEMBL19369882 0.90 ESR1 (0.58) ESR1ESR2MEN1KMT2AHSP90AA1
SCHEMBL19369616 0.90 ESR1 (0.58) ESR1ESR2MEN1KMT2AHSP90AA1
SCHEMBL19369691 0.90 ESR1 (0.58) ESR1ESR2MEN1KMT2AHSP90AA1

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-11183640-B2 Organic electroluminescent device comprising electrontransport layer and electron buffer layer ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. 2021-11-23 US disclosed
US-20190214572-A1 ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING ELECTRONTRANSPORT LAYER AND ELECTRON BUFFER LAYER DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2019-07-11 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 (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-11183640-B2 Organic electroluminescent device comprising electrontransport layer and electron buffer layer SLC8B1, SLC9A2, SLC9B2 ESR1 264/4885ESR2 425/4885MEN1 2443/4885
US-20190214572-A1 ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING ELECTRONTRANSPORT LAYER AND ELECTRON BUFFER LAYER SLC8B1, SLC9A2, SLC9B2 ESR1 264/4885ESR2 425/4885MEN1 2443/4885

“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.