SCHEMBL1784460

SCHEMBL1784460

CCCCc1ccc(SSc2ccc(CCCC)cc2-c2ccccc2)c(-c2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.56
HSD11B1 P28845 2/20 0.45
SKP2 Q13309 1/20 0.44
BACE1 P56817 1/20 0.41
GPR3 P46089 1/20 0.40
METAP2 P50579 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
RARB P10826 1/20 0.38
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL1784461 0.88 PSMB5 (0.53) PSMB5HSD11B1SKP2BACE1GPR3
SCHEMBL1784380 0.83 MAPT (0.46) PSMB5BACE1NPC1MAPK1RAB9A
SCHEMBL11325207 0.83 PSMB5 (0.61) PSMB5HSD11B1SKP2BACE1GPR3
SCHEMBL10654561 0.80 PSMB5 (0.62) PSMB5HSD11B1SKP2BACE1GPR3
SCHEMBL23432416 0.80 SKP2 (0.59) PSMB5HSD11B1SKP2BACE1GPR3
SCHEMBL4591101 0.79 BACE1 (0.66) PSMB5HSD11B1BACE1NPC1MAPK1
SCHEMBL27992110 0.77 GPR3 (0.50) PSMB5HSD11B1GPR3RARBMAPK1
SCHEMBL11512580 0.75 HSD11B1 (0.62) PSMB5HSD11B1CA1CA2RARB
SCHEMBL21693629 0.75 PSMB5 (0.54) PSMB5HSD11B1GPR3RARBMAPK1
SCHEMBL6546416 0.75 PSMB5 (0.57) PSMB5HSD11B1SKP2GPR3RARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2323975-B1 MULTI-RING ANTIOXIDANTS WITH ANTIWEAR PROPERTIES SI GROUP INC (US) 2019-04-24 EP disclosed
US-9796939-B2 Multi-ring antioxidants with antiwear properties SI GROUP, INC. (US) 2017-10-24 US disclosed
US-20140038871-A1 MULTI-RING ANTIOXIDANTS WITH ANTIWEAR PROPERTIES ALBEMARLE CORPORATION (US) 2014-02-06 US disclosed
US-8580718-B2 Multi-ring antioxidants with antiwear properties ALBERMARLE CORPORATION (US) 2013-11-12 US disclosed
US-20110124540-A1 MULTI-RING ANTIOXIDANTS WITH ANTIWEAR PROPERTIES ALBEMARLE CORPORATION (US) 2011-05-26 US disclosed
EP-2323975-A2 MULTI-RING ANTIOXIDANTS WITH ANTIWEAR PROPERTIES Albemarle Corporation (US) 2011-05-25 EP disclosed
WO-2010011523-A2 MULTI-RING ANTIOXIDANTS WITH ANTIWEAR PROPERTIES ALBEMARLE CORPORATION (US) 2010-01-28 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-20110124540-A1 MULTI-RING ANTIOXIDANTS WITH ANTIWEAR PROPERTIES GSR, CBR1, SOD1 PSMB5 2779/4885HSD11B1 300/4885SKP2 1737/4885

“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.