SCHEMBL3890950

SCHEMBL3890950

CC(C)(C)C(Sc1ccc(O)cc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
HSD17B10 Q99714 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 5/20 0.38
MAPT P10636 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 3/20 0.38
KMT2A Q03164 2/20 0.38
HSP90AA1 P07900 1/20 0.38
THRB P10828 1/20 0.38
NR1H2 P55055 1/20 0.37
ESR1 P03372 4/20 0.36
ESR2 Q92731 4/20 0.36
CYP3A4 P08684 3/20 0.36
BLM P54132 1/20 0.36
ALOX5 P09917 2/20 0.35
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL8659778 0.85 POLB (0.46) HTTHSD17B10CYP2C9CYP2C19ALDH1A1
SCHEMBL3884033 0.77 HTT (0.39) HTTCYP2C19ALDH1A1MAPTNPSR1
SCHEMBL9638444 0.76 CYP2C9 (0.40) HTTHSD17B10CYP2C9CYP2C19ALDH1A1
SCHEMBL8848320 0.75 BLM (0.38) HTTHSD17B10CYP2C9CYP2C19ALDH1A1
SCHEMBL10455020 0.75 KDM4E (0.47) HTTHSD17B10CYP2C9CYP2C19ALDH1A1
SCHEMBL10455022 0.75 KDM4E (0.47) HTTHSD17B10CYP2C9CYP2C19ALDH1A1
SCHEMBL1747654 0.74 HTT (0.72) HTTHSD17B10ALDH1A1MAPTNPSR1
SCHEMBL4804696 0.74 BLM (0.44) CYP2C9CYP2C19ALDH1A1ESR1ESR2
SCHEMBL11003311 0.72 CYP2C9 (0.44) HTTHSD17B10CYP2C9CYP2C19ALDH1A1
SCHEMBL8037706 0.71 ALDH1A1 (0.45) HTTCYP2C9CYP2C19ALDH1A1MAPT

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-20090264660-A1 PROCESS FOR ALKYL ARYL SULFIDE DERIVATIVES AND NEW SULFIDE COMPOUNDS Kang, Heonjoong (KR) 2009-10-22 US claimed
EP-1812386-A1 PROCESS FOR ALKYL ARYL SULFIDE DERIVATIVES AND NEW SULFIDE COMPOUNDS Kang, Heonjoong (KR) 2007-08-01 EP claimed
WO-2006043797-A1 PROCESS FOR ALKYL ARYL SULFIDE DERIVATIVES AND NEW SULFIDE COMPOUNDS KANG HEONJOONG (KR) 2006-04-27 WO claimed
US-20090264660-A1 PROCESS FOR ALKYL ARYL SULFIDE DERIVATIVES AND NEW SULFIDE COMPOUNDS Kang, Heonjoong (KR) 2009-10-22 US disclosed
EP-1812386-A1 PROCESS FOR ALKYL ARYL SULFIDE DERIVATIVES AND NEW SULFIDE COMPOUNDS Kang, Heonjoong (KR) 2007-08-01 EP disclosed
WO-2006043797-A1 PROCESS FOR ALKYL ARYL SULFIDE DERIVATIVES AND NEW SULFIDE COMPOUNDS KANG HEONJOONG (KR) 2006-04-27 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-20090264660-A1 PROCESS FOR ALKYL ARYL SULFIDE DERIVATIVES AND NEW SULFIDE COMPOUNDS TST, ARSA, STS HTT 2818/4885HSD17B10 545/4885CYP2C9 18/4885

“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.