SCHEMBL21168902

SCHEMBL21168902

c1ccc(-c2nc3ccccc3nc2-n2c3ccccc3c3cc4c5ccc6ccccc6c5n(-c5cccc6ccccc56)c4cc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.40
HSD17B10 Q99714 3/20 0.34
CASP1 P29466 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 4/20 0.33
HPGD P15428 2/20 0.33
GAA P10253 1/20 0.33
PDE10A Q9Y233 3/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 2/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
DHODH Q02127 1/20 0.32
TERT O14746 1/20 0.31
NPC1 O15118 1/20 0.31
USP2 O75604 1/20 0.31

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
SCHEMBL21168916 0.97 GSR (0.39) GSRHSD17B10CASP1TDP1HRH4
SCHEMBL21168903 0.91 CYP1A2 (0.36) GSRHSD17B10CASP1TDP1HRH4
SCHEMBL19507603 0.90 KDM4E (0.36) GSRHSD17B10CASP1HRH4KDM4E
SCHEMBL20049029 0.89 GSR (0.41) GSRHSD17B10CASP1HRH4KDM4E
SCHEMBL21168866 0.89 GSR (0.41) GSRHSD17B10CASP1HRH4KDM4E
SCHEMBL19655301 0.89 GSR (0.44) GSRHSD17B10CASP1TDP1HRH4
SCHEMBL21168718 0.88 DHODH (0.36) HSD17B10CASP1TDP1HRH4KDM4E
SCHEMBL21168717 0.88 DHODH (0.36) GSRHSD17B10CASP1TDP1HRH4
SCHEMBL21717122 0.88 GSR (0.37) GSRTDP1PDE10A
SCHEMBL21168811 0.88 KDM4E (0.39) GSRHSD17B10CASP1HRH4KDM4E

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-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

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 1922/4885HSD17B10 2828/4885CASP1 2566/4885

“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.