SCHEMBL4580679

SCHEMBL4580679

CN(C)C(=O)c1cc(O)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.59
CA12 O43570 5/20 0.57
CA1 P00915 5/20 0.57
CA2 P00918 5/20 0.57
CA7 P43166 5/20 0.57
CA9 Q16790 5/20 0.57
CA14 Q9ULX7 5/20 0.57
ALOX5 P09917 1/20 0.57
PTGS2 P35354 1/20 0.57
PDK2 Q15119 3/20 0.50
HSP90AA1 P07900 1/20 0.50
CHRNA7 P36544 4/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP2C9 P11712 2/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
KMT2A Q03164 2/20 0.44
RGS12 O14924 1/20 0.44
USP2 O75604 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
SCHEMBL11576641 0.83 PDK2 (0.68) CA12CA1CA2CA7CA9
SCHEMBL24941116 0.82 PDK2 (0.45) L3MBTL1CA12CA1CA2CA7
SCHEMBL12261016 0.82 CSNK2A1 (0.62) L3MBTL1HSP90AA1ALDH1A1MEN1MAPT
SCHEMBL17774838 0.80 KDM4E (0.60) L3MBTL1CA1CA2ALOX5PTGS2
SCHEMBL3814807 0.80 L3MBTL1 (0.56) L3MBTL1CA1CA2PDK2HSP90AA1
SCHEMBL5065113 0.80 PDK2 (0.47) L3MBTL1CA12CA1CA2CA7
SCHEMBL3216800 0.80 CA1 (0.60) L3MBTL1CA1CA2ALDH1A1MEN1
SCHEMBL12261048 0.80 CES2 (0.68) L3MBTL1ALDH1A1CYP2C9MEN1MAPT
SCHEMBL5065100 0.79 PDK2 (0.46) L3MBTL1CA12CA1CA2CA7
SCHEMBL6880901 0.78 PDK2 (0.53) L3MBTL1CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312349-A1 METHOD OF MAKING AND USING MEMBRANE GENERAL ELECTRIC COMPANY (US) 2008-12-18 US disclosed
US-20080207822-A1 COMPOSITION AND ASSOCIATED METHOD GENERAL ELECTRIC COMPANY (US) 2008-08-28 US disclosed
WO-2008103599-A2 COMPOSITION, ITS USE IN THE PREPARATION OF MEMBRANES, AND SYSTEMS COMPRISING THE MEMBRANES SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2008-08-28 WO disclosed
US-20080203012-A1 MEMBRANE, APPARATUS, AND ASSOCIATED METHOD GENERAL ELECTRIC COMPANY (US) 2008-08-28 US disclosed
US-6933403-B2 Mono carbonylation of benzene diols BIOLAND CO., LTD. (KR) 2005-08-23 US disclosed
US-20040260114-A1 Mono carbonylation of benzene diols HYUNDAI BIOLAND CO., LTD. (KR) 2004-12-23 US disclosed
WO-2003033449-A1 MONO CARBONYLATION OF BENZENE DIOLS BIOLAND CO., LTD (KR) 2003-04-24 WO 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-20040260114-A1 Mono carbonylation of benzene diols CBR1, CBR3, CYP1A1 L3MBTL1 3938/4885CA12 60/4885CA1 56/4885

“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.