SCHEMBL1785044

SCHEMBL1785044

Cc1c(SSc2cccc(-c3ccccc3)c2C)cccc1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 5/20 0.52
CD274 Q9NZQ7 5/20 0.52
HTR7 P34969 2/20 0.43
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP2A6 P11509 2/20 0.38
HPGD P15428 2/20 0.38
BCL2L1 Q07817 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2B6 P20813 1/20 0.38
ADRA2A P08913 1/20 0.37
ADRA1A P35348 1/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL1785877 0.87 PDCD1 (0.52) PDCD1CD274HTR7ALDH1A1HSD17B10
SCHEMBL28300135 0.85 PDCD1 (0.50) PDCD1CD274HTR7ALDH1A1HSD17B10
SCHEMBL1785047 0.83 PDCD1 (0.48) PDCD1CD274HTR7ALDH1A1HSD17B10
SCHEMBL25785668 0.81 PDCD1 (0.64) PDCD1CD274HTR7ALDH1A1HSD17B10
SCHEMBL945670 0.79 HTR7 (0.50) HTR7ALDH1A1HSD17B10CYP2A6HPGD
SCHEMBL943903 0.76 HTR7 (0.40) PDCD1CD274HTR7ALDH1A1HSD17B10
SCHEMBL31065666 0.75 PDCD1 (0.57) PDCD1CD274HTR7ALDH1A1HSD17B10
Benzene SCHEMBL29008554 0.75 PDCD1 (0.57) PDCD1CD274HTR7ALDH1A1HSD17B10
SCHEMBL192334 0.75 PDCD1 (0.57) PDCD1CD274HTR7ALDH1A1HSD17B10
SCHEMBL943905 0.75 HTR7 (0.42) HTR7ALDH1A1HSD17B10CYP2A6HPGD

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 PDCD1 1999/4885CD274 1817/4885HTR7 2331/4885

“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.