SCHEMBL2069818

SCHEMBL2069818

CCOC(=O)C1(O)CCC(=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
ATM Q13315 1/20 0.40
OPRM1 P35372 7/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
OPRD1 P41143 3/20 0.36
OPRK1 P41145 3/20 0.36
SLC22A1 O15245 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
KCNH2 Q12809 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL542029 0.83
SCHEMBL135585 0.82 POLB (0.43) POLBATMOPRM1SMN1; SMN2OPRD1
SCHEMBL18500642 0.82 ALDH1A1 (0.41) POLBATMSMN1; SMN2ALDH1A1
SCHEMBL19766 0.81 POLB (0.42) POLBATMOPRM1SMN1; SMN2OPRD1
SCHEMBL18768458 0.80 TSHR (0.36) SMN1; SMN2SLC6A4MEN1KMT2AMAPT
SCHEMBL1815035 0.79 SMN1; SMN2 (0.41) POLBATMOPRM1SMN1; SMN2OPRD1
SCHEMBL5411525 0.79 SMN1; SMN2 (0.45) POLBATMOPRM1SMN1; SMN2OPRD1
SCHEMBL21469230 0.79 POLB (0.41) POLBATMOPRM1SMN1; SMN2OPRD1
SCHEMBL5949812 0.79 POLB (0.41) POLBATMOPRM1SMN1; SMN2OPRD1
SCHEMBL15166991 0.78 POLB (0.40) POLBATMOPRM1SMN1; SMN2OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101160049-B Spiroketal-substituted cyclic ketoenols BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-05-11 CN disclosed
CN-103755716-A Spiroketal-substituted cyclic ketoenols BAYER CROPSCIENCE AG 2014-04-30 CN disclosed
US-7999115-B2 Spiro antibiotic derivatives ACTELION PHARMACEUTICAL LTD. (SE) 2011-08-16 US disclosed
US-20110190493-A1 Spiroketal-Substituted Cyclic Ketoenols BAYER CROPSCIENCE AG (DE) 2011-08-04 US disclosed
US-7897543-B2 Spiroketal-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2011-03-01 US disclosed
CN-101885719-A Spiroketal-substituted cyclic ketoenols BAYER CROPSCIENCE AG 2010-11-17 CN disclosed
CN-101885700-A Spiroketal-substituted cyclic ketoenols BAYER CROPSCIENCE AG 2010-11-17 CN disclosed
CN-101863873-A Spiroketal-substituted cyclic ketoenols BAYER CROPSCIENCE AG 2010-10-20 CN disclosed
EP-2066678-B1 SPIRO ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-02-10 EP disclosed
US-20090270375-A1 SPIRO ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2009-10-29 US disclosed
EP-2066678-A1 SPIRO ANTIBIOTIC DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-06-10 EP disclosed
US-20080305955-A1 Spiroketal-Substituted Cyclic Ketoenols BAYER CROPSCIENCE AG (DE) 2008-12-11 US disclosed
CN-101160049-A Spiroketal-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2008-04-09 CN disclosed
WO-2008026172-A1 SPIRO ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-03-06 WO disclosed
US-6589976-B1 Particularly effective wood preservation is achieved by impregnation processes on a large industrial scale, for example vacuum, a double vacuum or pressure processes. BAYER AKTIENGESELLSCHAFT (DE) 2003-07-08 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 (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-20110190493-A1 Spiroketal-Substituted Cyclic Ketoenols AKR1D1, PDHX, KHK POLB 2370/4885ATM 4045/4885OPRM1 2534/4885
US-20090270375-A1 SPIRO ANTIBIOTIC DERIVATIVES NR0B1, NRDC, NR4A1 POLB 795/4885ATM 4075/4885OPRM1 410/4885
US-20080305955-A1 Spiroketal-Substituted Cyclic Ketoenols AKR1D1, PDHX, KHK POLB 2370/4885ATM 4045/4885OPRM1 2534/4885

“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.