SCHEMBL4842363

SCHEMBL4842363

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.64
CA2 P00918 2/20 0.64
CA7 P43166 2/20 0.64
CA9 Q16790 2/20 0.64
MAPK1 P28482 1/20 0.55
MMP12 P39900 2/20 0.50
SLC1A1 P43005 1/20 0.50
TSHR P16473 2/20 0.49
NPC1 O15118 1/20 0.49
CA4 P22748 1/20 0.48
FOLH1 Q04609 1/20 0.48
POLB P06746 1/20 0.47
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
AGER Q15109 1/20 0.47

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
SCHEMBL4836414 1.00 CA1 (0.64) CA1CA2CA7CA9MAPK1
SCHEMBL4836421 1.00 CA1 (0.64) CA1CA2CA7CA9MAPK1
SCHEMBL4668694 0.92 CA1 (0.58) CA1CA2CA7CA9MAPK1
SCHEMBL8114468 0.92 CA1 (0.58) CA1CA2CA7CA9MAPK1
SCHEMBL4265169 0.92 CA1 (0.58) CA1CA2CA7CA9MAPK1
SCHEMBL7581853 0.92 CA1 (0.58) CA1CA2CA7CA9MAPK1
SCHEMBL7582347 0.87 CA1 (0.57) CA1CA2CA7CA9MAPK1
SCHEMBL7572323 0.87 CA1 (0.57) CA1CA2CA7CA9MAPK1
SCHEMBL9184801 0.86 CA1 (0.60) CA1CA2CA7CA9MAPK1
SCHEMBL20530493 0.86 CA1 (0.60) CA1CA2CA7CA9MAPK1

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 12 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-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
EP-1277748-B1 Process for producing optically active y-Butyrolactone TAKASAGO PERFUMERY CO LTD (JP) 2004-04-21 EP disclosed
EP-1403262-A1 Process for producing optically active alpha butyrolactone Takasago International Corporation (JP) 2004-03-31 EP disclosed
US-6608214-B2 Hydrogenating optically active 4-substituted oxy-3-hydroxy-butyrate followed by simultaneous deprotection and ring closure; economic and efficient synthesis TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-08-19 US disclosed
EP-1277748-A1 Process for producing optically active y-Butyrolactone Takasago International Corporation (JP) 2003-01-22 EP disclosed
EP-0583171-B1 (3R,5S)-3,5,6-trihydroxyhexanoic acid derivatives and methods for their production TAKASAGO PERFUMERY CO LTD (JP) 1998-11-11 EP disclosed
EP-0583171-A2 (3R,5S)-3,5,6-trihydroxyhexanoic acid derivatives and methods for their production Takasago International Corporation (JP) 1994-02-16 EP disclosed
US-5286883-A (3R,5S)-3,5,6-trihydroxyhexanoic acid derivative and production method thereof TAKASAGO INTERNATIONAL CORPORATION (JP) 1994-02-15 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 CA1 3918/4885CA2 3623/4885CA7 2333/4885
US-20040162340-A1 Production method of hexahydrofurofuranol derivative, intermediate therefor and production method thereof CYP4F11, CYP51A1, CYP4A11 CA1 3927/4885CA2 3610/4885CA7 2384/4885

“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.