SCHEMBL4837485

SCHEMBL4837485

CC(C)(C)OC[C@H](O)CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.50
MAPK1 P28482 1/20 0.48
MAPT P10636 1/20 0.43
GABRR1 P24046 2/20 0.43
PGD P52209 2/20 0.43
LMNA P02545 1/20 0.43
GPR84 Q9NQS5 4/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
GRN P28799 1/20 0.34
SORT1 Q99523 1/20 0.34

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
SCHEMBL4837493 1.00 SLC22A6 (0.50) SLC22A6MAPK1MAPTGABRR1PGD
SCHEMBL9395777 1.00 SLC22A6 (0.50) SLC22A6MAPK1MAPTGABRR1PGD
SCHEMBL9395053 0.90 SLC22A6 (0.44) SLC22A6MAPK1MAPTGABRR1PGD
SCHEMBL9395792 0.90 SLC22A6 (0.44) SLC22A6MAPK1MAPTGABRR1PGD
SCHEMBL9393935 0.90 SLC22A6 (0.44) SLC22A6MAPK1MAPTGABRR1PGD
SCHEMBL9395761 0.84 MAPK1 (0.42) SLC22A6MAPK1MAPTPGDKDM4E
SCHEMBL10417537 0.78 MAPK1 (0.48) SLC22A6MAPK1PGDGPR84ALDH1A1
SCHEMBL26811369 0.78 MAPK1 (0.48) SLC22A6MAPK1PGDGPR84ALDH1A1
SCHEMBL1982314 0.78 MAPK1 (0.65) MAPK1KDM4EALDH1A1TDP1GRN
SCHEMBL29036580 0.77 MAPK1 (0.41) SLC22A6MAPK1MAPTGABRR1PGD

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 11 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-0745681-B1 Optical resolution of chlorohydrin with microorganism DAISO CO LTD (JP) 2001-08-29 EP disclosed
US-5776766-A Optical resolution of chlorohydrin with microorganism DAISO CO., LTD. (JP) 1998-07-07 US disclosed
EP-0745681-A2 Optical resolution of chlorohydrin with microorganism DAISO CO., LTD. (JP) 1996-12-04 EP disclosed
EP-0385733-B1 Process for preparing optically active 6-t-butoxy-3,5-dihydroxyhexanoic esters TAKASAGO PERFUMERY CO LTD (JP) 1994-06-01 EP disclosed
US-4994602-A Process for preparing optically active 6-t-butyoxy-3,5-dihydroxyhexanoic esters TAKASAGO INTERNATIONAL CORPORATION (JP) 1991-02-19 US disclosed
EP-0385733-A2 Process for preparing optically active 6-t-butoxy-3,5-dihydroxyhexanoic esters Takasago International Corporation (JP) 1990-09-05 EP 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 SLC22A6 4438/4885MAPK1 3464/4885MAPT 3733/4885
US-20040162340-A1 Production method of hexahydrofurofuranol derivative, intermediate therefor and production method thereof CYP4F11, CYP51A1, CYP4A11 SLC22A6 4460/4885MAPK1 3405/4885MAPT 3703/4885

“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.