SCHEMBL21168837

SCHEMBL21168837

c1ccc(-c2ccc3c4cc5c6cc7ccccc7cc6n(-c6ccccc6)c5cc4n(-c4nc5ccccc5nc4-c4ccccc4)c3c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
DHODH Q02127 3/20 0.36
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 3/20 0.35
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
LMNA P02545 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HSP90AA1 P07900 1/20 0.34
MAPT P10636 1/20 0.34
GAA P10253 4/20 0.34
MGAM O43451 2/20 0.33
SI P14410 2/20 0.33
MGAM2 Q2M2H8 2/20 0.33

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
SCHEMBL21168908 1.00 CASP1 (0.36) CASP1HSD17B10HRH4DHODHKDM4E
SCHEMBL21168909 0.93 CASP1 (0.36) CASP1HSD17B10HRH4DHODHKDM4E
SCHEMBL21168835 0.93 CASP1 (0.36) CASP1HSD17B10HRH4DHODHKDM4E
SCHEMBL22425514 0.93 KDM4E (0.41) CASP1HSD17B10HRH4DHODHKDM4E
SCHEMBL21168855 0.92 ALDH1A1 (0.40) CASP1DHODHKDM4EALDH1A1ESR1
SCHEMBL22425526 0.91 KDM4E (0.39) CASP1HSD17B10HRH4KDM4EALDH1A1
SCHEMBL21168715 0.91 KDM4E (0.43) CASP1HSD17B10HRH4DHODHKDM4E
SCHEMBL20031130 0.91 KDM4E (0.43) CASP1HSD17B10HRH4DHODHKDM4E
SCHEMBL22425634 0.89 KDM4E (0.41) CASP1HSD17B10HRH4DHODHKDM4E
SCHEMBL21212911 0.88 KDM4E (0.43) CASP1HSD17B10HRH4KDM4EALDH1A1

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 CASP1 2566/4885HSD17B10 2828/4885HRH4 4053/4885

“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.