SCHEMBL9902801

SCHEMBL9902801

CCOC(=O)C(CC)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.51
LMNA P02545 2/20 0.51
ALDH1A1 P00352 5/20 0.49
MMP8 P22894 2/20 0.48
PIN1 Q13526 1/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
SLC1A3 P43003 2/20 0.45
SLC1A2 P43004 2/20 0.45
SLC1A1 P43005 2/20 0.45
NPC1 O15118 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
POLB P06746 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PPARG P37231 2/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44

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
SCHEMBL16672561 0.92 ALDH1A1 (0.55) L3MBTL1LMNAALDH1A1KMT2AMEN1
SCHEMBL7317841 0.87 L3MBTL1 (0.49) L3MBTL1LMNAALDH1A1MMP8PIN1
SCHEMBL16672702 0.87 LMNA (0.47) L3MBTL1LMNAALDH1A1KMT2AMEN1
SCHEMBL27855080 0.87 ALDH1A1 (0.53) L3MBTL1LMNAALDH1A1KMT2ANPC1
SCHEMBL16672540 0.87 ALDH1A1 (0.49) L3MBTL1ALDH1A1KMT2AMEN1SLC1A3
SCHEMBL16559554 0.87 ALDH1A1 (0.49) L3MBTL1ALDH1A1KMT2AMEN1SLC1A3
SCHEMBL29029181 0.86 ALDH1A1 (0.50) L3MBTL1LMNAALDH1A1MMP8PIN1
SCHEMBL21626263 0.86 ALDH1A1 (0.50) L3MBTL1LMNAALDH1A1MMP8PIN1
SCHEMBL25311343 0.84 LMNA (0.47) L3MBTL1LMNAALDH1A1MMP8PIN1
SCHEMBL16672656 0.84 TSHR (0.57) L3MBTL1LMNAALDH1A1KMT2AMEN1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2869389-B1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTIC SOLUTION CELL USING SAME MITSUBISHI CHEM CORP (JP) 2019-11-13 EP disclosed
US-10320030-B2 Nonaqueous electrolyte solution and nonaqueous electrolyte battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2019-06-11 US disclosed
EP-3216798-A2 KETOLIDE COMPOUNDS Wockhardt Limited (IN) 2017-09-13 EP disclosed
EP-2673285-B1 KETOLIDE COMPOUNDS WOCKHARDT LTD (IN) 2017-07-19 EP disclosed
US-20160083412-A1 KETOLIDE COMPOUNDS WOCKHARDT LIMITED (IN) 2016-03-24 US disclosed
US-20160083412-A1 KETOLIDE COMPOUNDS WOCKHARDT LIMITED (IN) 2016-03-24 US disclosed
CN-103384676-B Ketolactone compounds WOCKHARDT LTD. (IN) 2016-02-03 CN disclosed
US-9175031-B2 Ketolide compounds WOCKHARDT LIMITED (IN) 2015-11-03 US disclosed
US-9175031-B2 Ketolide compounds WOCKHARDT LIMITED (IN) 2015-11-03 US disclosed
US-20150140448-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2015-05-21 US disclosed
EP-2869389-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTIC SOLUTION CELL USING SAME Mitsubishi Chemical Corporation (JP) 2015-05-06 EP disclosed
US-20140107135-A1 PYRIMIDINONE INHIBITORS OF LIPOPROTEIN-ASSOCIATED PHOSPHOLIPASE A2 AUSPEX PHARMACEUTICALS, INC. (US) 2014-04-17 US disclosed
US-20140005133-A1 KETOLIDE COMPOUNDS WOCKHARDT LIMITED (IN) 2014-01-02 US disclosed
EP-2673285-A1 KETOLIDE COMPOUNDS Wockhardt Limited (IN) 2013-12-18 EP disclosed
CN-103384676-A Ketolactone compounds WOCKHARDT LTD 2013-11-06 CN disclosed
WO-2012076989-A1 KETOLIDE COMPOUNDS WOCKHARDT LIMITED (IN) 2012-06-14 WO disclosed
CN-1989141-B Bicyclic heterocycles as HIV integrase inhibitors BRISTOL MYERS SQUIBB CO 2010-06-16 CN disclosed
CN-1989141-A Bicyclic heterocycles as HIV integrase inhibitors BRISTOL MYERS SQUIBB CO (US) 2007-06-27 CN 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 (3 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-20160083412-A1 KETOLIDE COMPOUNDS AKR1C3, AKR1D1, AKR1C1 L3MBTL1 1361/4885LMNA 4283/4885ALDH1A1 2446/4885
US-20140107135-A1 PYRIMIDINONE INHIBITORS OF LIPOPROTEIN-ASSOCIATED PHOSPHOLIPASE A2 PLA2G1B, PLA2G4A, PLA2G4B L3MBTL1 3877/4885LMNA 622/4885ALDH1A1 1423/4885
US-20140005133-A1 KETOLIDE COMPOUNDS AKR1C3, AKR1D1, AKR1C1 L3MBTL1 1388/4885LMNA 4118/4885ALDH1A1 2322/4885

“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.