SCHEMBL22157994

SCHEMBL22157994

CC(C)c1ccc2c(-c3cccc4c3oc3ccccc34)nccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.40
TNKS O95271 1/20 0.36
PARP1 P09874 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
PRKDC P78527 5/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
ADK P55263 1/20 0.35
CDK2 P24941 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TBK1 Q9UHD2 1/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 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
SCHEMBL24146530 0.90 TNKS (0.35) ALOX5TNKSPARP1TNKS2HDAC6
SCHEMBL24146679 0.88 TNKS (0.34) ALOX5TNKSPARP1TNKS2HDAC6
SCHEMBL22316455 0.86 SCN9A (0.35) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL26011935 0.84 KDM4E (0.34) TNKSPARP1TNKS2HDAC6PARP2
SCHEMBL22157996 0.83
SCHEMBL22316453 0.83 ALDH1A1 (0.38) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL24087566 0.83 SCN9A (0.32) TBK1
SCHEMBL26415718 0.83 ALOX5 (0.48) ALOX5TNKSPARP1TNKS2HDAC6
SCHEMBL19094354 0.82 KDM4E (0.48) ALOX5PRKDCPIK3CDPIK3CBADK
SCHEMBL29395390 0.82 KDM4E (0.48) ALOX5PRKDCPIK3CDPIK3CBADK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220064197-A1 PHOSPHINE OXIDE GROUP-CONTAINED TRANSITION METAL COMPLEX, AND POLYMER, MIXTURE, COMPOSITION, AND ORGANIC ELECTRONIC DEVICE THEREOF GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2022-03-03 US disclosed
WO-2020125589-A1 PHOSPHINE OXIDE GROUP-CONTAINED TRANSITION METAL COMPLEX, AND POLYMER, MIXTURE, COMPOSITION, AND ORGANIC ELECTRONIC DEVICE THEREOF 广州华睿光电材料有限公司 2020-06-25 WO 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-20220064197-A1 PHOSPHINE OXIDE GROUP-CONTAINED TRANSITION METAL COMPLEX, AND POLYMER, MIXTURE, COMPOSITION, AND ORGANIC ELECTRONIC DEVICE THEREOF PHOSPHO1, CPNE4, TCP1 ALOX5 1211/4885TNKS 3052/4885PARP1 2077/4885

“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.