SCHEMBL21168960

SCHEMBL21168960

c1ccc(-c2ccc3c(c2)c2cc4c5ccc6ccccc6c5n(-c5ccccc5)c4cc2n3-c2nc3ccccc3nc2-c2ccccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.35
CASP1 P29466 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
PDE10A Q9Y233 1/20 0.32
GAA P10253 3/20 0.31
KDM4E B2RXH2 2/20 0.31
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PIK3CA P42336 2/20 0.31
MTOR P42345 2/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 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
SCHEMBL21168861 0.96 DHODH (0.35) DHODHCASP1HSD17B10HRH4MEN1
SCHEMBL21168958 0.95 DHODH (0.36) DHODHCASP1HSD17B10HRH4MEN1
SCHEMBL21168717 0.95 DHODH (0.36) DHODHCASP1HSD17B10HRH4MEN1
SCHEMBL22425673 0.94 KDM4E (0.35) DHODHCASP1HSD17B10HRH4MEN1
SCHEMBL21168718 0.93 DHODH (0.36) DHODHCASP1HSD17B10HRH4MEN1
SCHEMBL19507603 0.93 KDM4E (0.36) DHODHCASP1HSD17B10HRH4MEN1
SCHEMBL21168743 0.91 L3MBTL1 (0.33) DHODHCASP1HSD17B10HRH4MEN1
SCHEMBL21168856 0.91 DHODH (0.36) DHODHCASP1HSD17B10HRH4MEN1
SCHEMBL24037047 0.90 CASP1 (0.38) DHODHCASP1HSD17B10HRH4MEN1
SCHEMBL22425211 0.90 KDM4E (0.37) CASP1HSD17B10HRH4MEN1KMT2A

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 DHODH 1025/4885CASP1 2566/4885HSD17B10 2828/4885

“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.