SCHEMBL4426142

SCHEMBL4426142

CCOC(=O)C=C[C@@H]1COC(C)(C)O1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.45
TDP1 Q9NUW8 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
NPSR1 Q6W5P4 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CA2 P00918 2/20 0.33
LMNA P02545 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
TTR P02766 1/20 0.31
DPP4 P27487 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL3988831 1.00 L3MBTL1 (0.45) L3MBTL1TDP1HCAR2NPSR1CTDSP1
SCHEMBL12150587 1.00 L3MBTL1 (0.45) L3MBTL1TDP1HCAR2NPSR1CTDSP1
SCHEMBL3988833 1.00 L3MBTL1 (0.45) L3MBTL1TDP1HCAR2NPSR1CTDSP1
SCHEMBL4425298 1.00 L3MBTL1 (0.45) L3MBTL1TDP1HCAR2NPSR1CTDSP1
SCHEMBL1243883 1.00 L3MBTL1 (0.45) L3MBTL1TDP1HCAR2NPSR1CTDSP1
SCHEMBL9914107 1.00 L3MBTL1 (0.45) L3MBTL1TDP1HCAR2NPSR1CTDSP1
SCHEMBL3988829 1.00 L3MBTL1 (0.45) L3MBTL1TDP1HCAR2NPSR1CTDSP1
SCHEMBL4422593 1.00 L3MBTL1 (0.45) L3MBTL1TDP1HCAR2NPSR1CTDSP1
SCHEMBL15355842 0.85 L3MBTL1 (0.43) L3MBTL1TDP1HCAR2NPSR1CTDSP1
SCHEMBL9812980 0.84 MAPT (0.38) L3MBTL1MAPTCA2

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
CN-112771040-A Monocyclic lactam compounds and uses thereof 南京圣和药业股份有限公司 2021-05-07 CN disclosed
CN-111171014-A Monocyclic lactam compounds and uses thereof 南京圣和药业股份有限公司 2020-05-19 CN disclosed
EP-1732931-B1 METHODS FOR THE PREPARATION OF (3R,3aS,6aR) HEXAHYDRO-FURO[2,3-b]FURAN-3-OL JANSSEN SCIENCES IRELAND UC (IE) 2016-05-18 EP disclosed
US-7595408-B2 Methods for the preparation of (3R,3aS,6aR) hexahydro-furo[2,3-b]furan-3-ol TIBOTEC PHARMACEUTICALS, LTD. (IE) 2009-09-29 US disclosed
US-20070208184-A1 METHODS FOR THE PREPARATION OF (3R,3aS,6aR) HEXAHYDRO-FURO[2,3-b]FURAN-3-OL Janssen Sciences Ireland Unlimited Company (IE) 2007-09-06 US disclosed
EP-1732931-A1 METHODS FOR THE PREPARATION OF (3R,3aS,6aR) HEXAHYDRO-FURO[2,3-b]FURAN-3-OL Tibotec Pharmaceuticals Ltd. (IE) 2006-12-20 EP disclosed
WO-2005095410-A1 METHODS FOR THE PREPARATION OF (3R,3aS,6aR) HEXAHYDRO-FURO[2,3-b]FURAN-3-OL TIBOTEC PHARMACEUTICALS LTD. (IE) 2005-10-13 WO disclosed
US-5665746-A BACTERICIDE HOFFMANN-LA ROCHE INC. (US) 1997-09-09 US disclosed
US-5594135-A BACTERICIDES HOFFMANN-LA ROCHE INC. (US) 1997-01-14 US disclosed
US-5589473-A BACTERICIDES HOFFMANN-LA ROCHE INC. (US) 1996-12-31 US disclosed
EP-0675122-A2 Mono or bicyclic DNA gyrase inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1995-10-04 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 (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-20070208184-A1 METHODS FOR THE PREPARATION OF (3R,3aS,6aR) HEXAHYDRO-FURO[2,3-b]FURAN-3-OL HTR3C, UGT1A3, HTR3D L3MBTL1 4520/4885TDP1 4205/4885HCAR2 633/4885

“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.