SCHEMBL3901176

SCHEMBL3901176

CC(C)(C)OC(=O)CSc1ccc(CO)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
CCNB2 O95067 1/20 0.40
CCNE2 O96020 1/20 0.40
CDK1 P06493 1/20 0.40
CDK4 P11802 1/20 0.40
CCNB1 P14635 1/20 0.40
CCND1 P24385 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
GLA P06280 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 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
SCHEMBL4597724 0.83 ALDH1A1 (0.44) ALDH1A1CCNB2CCNE2CDK1CDK4
SCHEMBL19386035 0.83 NPC1 (0.47) ALDH1A1SMN1; SMN2MAPTGAAL3MBTL1
SCHEMBL13647651 0.83 ALDH1A1 (0.42) ALDH1A1CCNB2CCNE2CDK1CDK4
SCHEMBL19403484 0.82 HPGD (0.48) ALDH1A1SMN1; SMN2MAPTPKML3MBTL1
SCHEMBL3892024 0.82 ALDH1A1 (0.46) ALDH1A1CCNB2CCNE2CDK1CDK4
SCHEMBL7049482 0.82 SMN1; SMN2 (0.54) ALDH1A1CCNB2CCNE2CDK1CDK4
SCHEMBL6933770 0.82 POLB (0.44) ALDH1A1CCNB2CCNE2CDK1CDK4
SCHEMBL7867128 0.81 FFAR1 (0.55) ALDH1A1CCNB2CCNE2CDK1CDK4
SCHEMBL3105393 0.81 MAPT (0.51) ALDH1A1SMN1; SMN2GLAMAPTKDM4E
SCHEMBL7382896 0.81 SDCBP (0.40) ALDH1A1PPARGPPARACCNB2CCNE2

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
US-20090264660-A1 PROCESS FOR ALKYL ARYL SULFIDE DERIVATIVES AND NEW SULFIDE COMPOUNDS Kang, Heonjoong (KR) 2009-10-22 US disclosed
US-20090264660-A1 PROCESS FOR ALKYL ARYL SULFIDE DERIVATIVES AND NEW SULFIDE COMPOUNDS Kang, Heonjoong (KR) 2009-10-22 US 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 ALDH1A1 210/4885PPARG 623/4885PPARA 1900/4885

“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.