SCHEMBL21168835

SCHEMBL21168835

c1ccc(-c2ccc3c(c2)c2cc4c5cc6ccccc6cc5n(-c5ccccc5)c4cc2n3-c2nc3ccccc3nc2-c2ccccc2)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 2/20 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
GAA P10253 4/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDR P35968 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
MTOR P42345 1/20 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
SCHEMBL21168909 1.00 CASP1 (0.36) CASP1HSD17B10HRH4DHODHKDM4E
SCHEMBL21168837 0.93 CASP1 (0.36) CASP1HSD17B10HRH4DHODHKDM4E
SCHEMBL22425634 0.93 KDM4E (0.41) CASP1HSD17B10HRH4DHODHKDM4E
SCHEMBL21168908 0.93 CASP1 (0.36) CASP1HSD17B10HRH4DHODHKDM4E
SCHEMBL21924445 0.93 CASP1 (0.41) CASP1HSD17B10HRH4DHODHKDM4E
SCHEMBL22425526 0.91 KDM4E (0.39) CASP1HSD17B10HRH4KDM4EALDH1A1
SCHEMBL20031130 0.91 KDM4E (0.43) CASP1HSD17B10HRH4DHODHKDM4E
SCHEMBL21168715 0.91 KDM4E (0.43) CASP1HSD17B10HRH4DHODHKDM4E
SCHEMBL22425576 0.90 L3MBTL1 (0.38) CASP1HSD17B10HRH4DHODHKDM4E
SCHEMBL21923700 0.90 CASP1 (0.39) CASP1HSD17B10HRH4DHODHKDM4E

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.