SCHEMBL20049029

SCHEMBL20049029

c1ccc(-c2nc3ccccc3nc2-n2c3cc4ccccc4cc3c3cc4c5ccccc5n(-c5cccc6ccccc56)c4cc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.41
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CASP1 P29466 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.34
HPGD P15428 2/20 0.34
GAA P10253 1/20 0.34
PDE10A Q9Y233 2/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
DHODH Q02127 1/20 0.33
HCAR1 Q9BXC0 2/20 0.32
TERT O14746 1/20 0.32

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
SCHEMBL21168866 1.00 GSR (0.41) GSRESR1ESR2HSD17B10CASP1
SCHEMBL19655301 0.93 GSR (0.44) GSRESR1ESR2HSD17B10CASP1
SCHEMBL19655299 0.91 GSR (0.42) GSRHSD17B10CASP1HRH4ALDH1A1
SCHEMBL19507463 0.89 ESR1 (0.44) ESR1ESR2HSD17B10CASP1HRH4
SCHEMBL21168902 0.89 GSR (0.40) GSRESR1ESR2HSD17B10CASP1
SCHEMBL21168867 0.89 ESR1 (0.36) GSRESR1ESR2HSD17B10CASP1
SCHEMBL21168882 0.89 ESR1 (0.36) GSRESR1ESR2HSD17B10CASP1
SCHEMBL21716262 0.89 GSR (0.37) GSRESR1ESR2HSD17B10CASP1
SCHEMBL21168916 0.88 GSR (0.39) GSRHSD17B10CASP1HRH4ALDH1A1
SCHEMBL21716902 0.88 GSR (0.38) GSRESR1ESR2HSD17B10CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210328152-A1 ORGANIC ELECTROLUMINESCENT DEVICE ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2021-10-21 US disclosed
US-20200058882-A1 ORGANIC ELECTROLUMINESCENT DEVICE ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2020-02-20 US disclosed
US-20190355912-A1 ORGANIC ELECTROLUMINESCENT DEVICE ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2019-11-21 US disclosed
US-20190221752-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2019-07-18 US disclosed
WO-2018066812-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2018-04-12 WO 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-20190221752-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME EPCAM, OR10J3, L1CAM GSR 1922/4885ESR1 216/4885ESR2 756/4885

“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.