SCHEMBL1782448

SCHEMBL1782448

c1ccc(-c2ccccc2Sc2ccccc2-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.50
ALDH1A1 P00352 6/20 0.46
HSD17B10 Q99714 2/20 0.46
CYP2A6 P11509 2/20 0.46
HPGD P15428 2/20 0.46
MAPK1 P28482 2/20 0.46
BCL2L1 Q07817 1/20 0.46
BACE1 P56817 1/20 0.42
DPP4 P27487 1/20 0.41
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CYP2B6 P20813 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
DRD1 P21728 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
SCHEMBL1786738 0.90 HTR7 (0.42) HTR7ALDH1A1HSD17B10CYP2A6HPGD
SCHEMBL6550775 0.87 MAPT (0.52) HTR7ALDH1A1HSD17B10CYP2A6HPGD
SCHEMBL26841190 0.87 HTR7 (0.46) HTR7ALDH1A1HSD17B10CYP2A6HPGD
Hydrogen Sulfide SCHEMBL27169707 0.85 MAPT (0.50) HTR7ALDH1A1HSD17B10CYP2A6HPGD
SCHEMBL27880556 0.85 MAPK1 (0.46) HTR7ALDH1A1HSD17B10CYP2A6HPGD
SCHEMBL27533399 0.84 HTR7 (0.43) HTR7ALDH1A1HSD17B10CYP2A6HPGD
SCHEMBL3282692 0.84 MAPT (0.44) HTR7ALDH1A1HSD17B10HPGDMAPK1
SCHEMBL7737500 0.84 MAPK1 (0.48) HTR7ALDH1A1HSD17B10CYP2A6HPGD
SCHEMBL945670 0.83 HTR7 (0.50) HTR7ALDH1A1HSD17B10CYP2A6HPGD
SCHEMBL15418802 0.82 MAPK1 (0.43) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HTR7 2331/4885ALDH1A1 118/4885HSD17B10 196/4885

“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.