SCHEMBL21168913

SCHEMBL21168913

c1ccc(-c2nc3ccccc3nc2-n2c3cc4c(cc3c3ccc5ccccc5c32)c2ccccc2n4-c2ccc3ccccc3c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.33
CASP1 P29466 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
KDM4E B2RXH2 3/20 0.32
GAA P10253 2/20 0.32
ALDH1A1 P00352 2/20 0.32
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
PRSS1 P07477 1/20 0.32
TSHR P16473 1/20 0.32
PDE10A Q9Y233 1/20 0.32
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 1/20 0.31
POLB P06746 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
SCHEMBL21168729 0.96 HPGD (0.35) HPGDHSD17B10CASP1HRH4KDM4E
SCHEMBL22425217 0.93 HPGD (0.33) HPGDHSD17B10CASP1HRH4KDM4E
SCHEMBL21168811 0.93 KDM4E (0.39) HPGDHSD17B10CASP1HRH4KDM4E
SCHEMBL22425463 0.93 HSD17B10 (0.36) HPGDHSD17B10CASP1HRH4KDM4E
SCHEMBL22425385 0.92 HSD17B10 (0.36) HPGDHSD17B10CASP1HRH4KDM4E
SCHEMBL21168847 0.91 HPGD (0.35) HPGDHSD17B10KDM4EGAAALDH1A1
SCHEMBL21168808 0.90 KDM4E (0.37) KDM4EF2F10PRSS1ATM
SCHEMBL21168868 0.89 HPGD (0.37) HPGDHSD17B10CASP1HRH4KDM4E
SCHEMBL21168883 0.89 HPGD (0.37) HPGDHSD17B10CASP1HRH4KDM4E
SCHEMBL19655185 0.89 HPGD (0.38) HPGDHSD17B10CASP1HRH4KDM4E

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 HPGD 4308/4885HSD17B10 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.