SCHEMBL4833172

SCHEMBL4833172

CC(C)(C)OCC[C@H](C(=O)O)[C@@H](O)COCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.46
CA1 P00915 3/20 0.43
KMT2A Q03164 1/20 0.43
SLC1A1 P43005 1/20 0.42
PPARG P37231 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
FOLH1 Q04609 1/20 0.41
CTSS P25774 1/20 0.41
TACR1 P25103 1/20 0.39
CASR P41180 1/20 0.39
MME P08473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 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
SCHEMBL4840201 1.00 PPARA (0.46) PPARACA1KMT2ASLC1A1PPARG
SCHEMBL4832922 0.86 FOLH1 (0.49) PPARACA1KMT2ASLC1A1CA2
SCHEMBL4838067 0.86 FOLH1 (0.49) PPARACA1KMT2ASLC1A1CA2
SCHEMBL7242407 0.79 KMT2A (0.50) PPARACA1KMT2ASLC1A1CA2
SCHEMBL7233601 0.79 KMT2A (0.50) PPARACA1KMT2ASLC1A1CA2
SCHEMBL27757633 0.79 KMT2A (0.50) PPARACA1KMT2ASLC1A1CA2
SCHEMBL27498880 0.79 SLC1A1 (0.46) PPARACA1KMT2ASLC1A1PPARG
SCHEMBL22086824 0.72 HTT (0.46) PPARAKMT2ASLC1A1FOLH1MME
SCHEMBL2252306 0.72 CYP2C19 (0.46) CA1KMT2ASLC1A1CA2CA7
SCHEMBL17756151 0.72 PPARA (0.48) PPARAKMT2APPARGFOLH1CTSS

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-7468448-B2 Production method of hexahydrofurofuranol derivative, intermediate therefor and production method thereof SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2008-12-23 US disclosed
US-7468448-B2 Production method of hexahydrofurofuranol derivative, intermediate therefor and production method thereof SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2008-12-23 US disclosed
US-20050256322-A1 Production method of hexahydrofurofuranol derivative, intermediate therefor and production method thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-11-17 US disclosed
EP-1589018-A1 PROCESS FOR PRODUCING HEXAHYDROFUROFURANOL DERIVATIVE, INTERMEDIATE THEREOF AND PROCESS FOR PRODUCING THE SAME Sumitomo Chemical Company, Limited (JP) 2005-10-26 EP disclosed
US-6867321-B2 Production method of hexahydrofurofuranol derivative, intermediate therefor and production method thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-03-15 US disclosed
US-20040162340-A1 Production method of hexahydrofurofuranol derivative, intermediate therefor and production method thereof SUMIKA FINE CHEMICALS CO., LTD. (JP) 2004-08-19 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 (2 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-20050256322-A1 Production method of hexahydrofurofuranol derivative, intermediate therefor and production method thereof CYP4F11, CYP51A1, CYP4A11 PPARA 3188/4885CA1 3918/4885KMT2A 3682/4885
US-20040162340-A1 Production method of hexahydrofurofuranol derivative, intermediate therefor and production method thereof CYP4F11, CYP51A1, CYP4A11 PPARA 3219/4885CA1 3927/4885KMT2A 3752/4885

“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.