SCHEMBL1786738

SCHEMBL1786738

c1ccc(-c2ccccc2-c2ccccc2Sc2ccccc2-c2ccccc2-c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.42
ALDH1A1 P00352 6/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP2A6 P11509 2/20 0.42
HPGD P15428 2/20 0.42
MAPK1 P28482 2/20 0.42
BCL2L1 Q07817 1/20 0.42
PTGS2 P35354 1/20 0.39
BACE1 P56817 1/20 0.39
DPP4 P27487 1/20 0.38
DCUN1D1 Q96GG9 2/20 0.37
DCUN1D2 Q6PH85 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CYP2B6 P20813 1/20 0.37
GPR55 Q9Y2T6 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36

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
SCHEMBL1782448 0.90 HTR7 (0.50) HTR7ALDH1A1HSD17B10CYP2A6HPGD
SCHEMBL17292795 0.89 MAPK1 (0.48) HTR7ALDH1A1HSD17B10CYP2A6HPGD
Hydrogen Sulfide SCHEMBL28028821 0.87 MAPK1 (0.47) HTR7ALDH1A1HSD17B10CYP2A6HPGD
SCHEMBL942945 0.85 HTR7 (0.42) HTR7ALDH1A1HSD17B10CYP2A6HPGD
SCHEMBL943905 0.85 HTR7 (0.42) HTR7ALDH1A1HSD17B10CYP2A6HPGD
SCHEMBL3243704 0.81 ALDH1A1 (0.55) HTR7ALDH1A1HSD17B10CYP2A6HPGD
SCHEMBL29414264 0.81 ALDH1A1 (0.58) ALDH1A1HSD17B10CYP2A6HPGDMAPK1
SCHEMBL29414275 0.81 ALDH1A1 (0.58) ALDH1A1HSD17B10CYP2A6HPGDMAPK1
SCHEMBL608537 0.81 ALDH1A1 (0.58) ALDH1A1HSD17B10CYP2A6HPGDMAPK1
SCHEMBL29352295 0.81 ALDH1A1 (0.58) ALDH1A1HSD17B10CYP2A6HPGDMAPK1

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-9796939-B2 Multi-ring antioxidants with antiwear properties SI GROUP, INC. (US) 2017-10-24 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.