SCHEMBL2852114

SCHEMBL2852114

C=C(CC(C)(C)C)C(=O)O.C=C(CCCCC)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 1/20 0.46
AKR1B1 P15121 1/20 0.43
THRB P10828 1/20 0.43
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
PGGT1B P53609 1/20 0.43
GPR84 Q9NQS5 7/20 0.42
PPARG P37231 7/20 0.42
PPARD Q03181 7/20 0.42
PPARA Q07869 7/20 0.42
HDAC11 Q96DB2 5/20 0.42
TSHR P16473 4/20 0.42
PTPN1 P18031 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TLR2 O60603 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
FABP4 P15090 2/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL3893852 0.98 THRB (0.46) TET2AKR1B1THRBFNTAFNTB
SCHEMBL17183933 0.98 THRB (0.46) TET2AKR1B1THRBFNTAFNTB
Methacrylic Acid SCHEMBL5068568 0.95 FNTA (0.43) TET2AKR1B1THRBFNTAFNTB
Methacrylic Acid SCHEMBL6434857 0.93 FNTA (0.46) TET2AKR1B1THRBFNTAFNTB
SCHEMBL6910249 0.86 AKR1B1 (0.56) AKR1B1THRBFNTAFNTBPGGT1B
SCHEMBL22545 0.86 AKR1B1 (0.56) AKR1B1THRBFNTAFNTBPGGT1B
SCHEMBL147810 0.84 GPR84 (0.58) AKR1B1THRBFNTAFNTBPGGT1B
SCHEMBL1119569 0.84 GPR84 (0.58) AKR1B1THRBFNTAFNTBPGGT1B
SCHEMBL3947983 0.84 GPR84 (0.58) AKR1B1THRBFNTAFNTBPGGT1B
SCHEMBL148286 0.84 GPR84 (0.58) AKR1B1THRBFNTAFNTBPGGT1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120328677-A1 Active Agent Formulations, Methods of Making, and Methods of Use MUTUAL PHARMACEUTICAL COMPANY, INC. (US) 2012-12-27 US disclosed
EP-2152758-B1 NITRILE RUBBERS LANXESS DEUTSCHLAND GMBH (DE) 2012-09-26 EP disclosed
EP-1868736-B9 COATING COMPOSITIONS CONTAINING HIGHLY CROSSLINKED POLYMER PARTICLES AND A HYDROPHOBIC POLYMER PPG IND OHIO INC (US) 2010-07-14 EP disclosed
US-20100159010-A1 Active Agent Formulations, Methods of Making, and Methods of Use MUTUAL PHARMACEUTICAL COMPANY, INC. (US) 2010-06-24 US disclosed
EP-1868736-B1 COATING COMPOSITIONS CONTAINING HIGHLY CROSSLINKED POLYMER PARTICLES AND A HYDROPHOBIC POLYMER PPG IND OHIO INC (US) 2009-08-26 EP disclosed
US-20080050450-A1 Active Agent Formulations, Methods of Making, and Methods of Use MUTUAL PHARMACEUTICAL COMPANY, INC. (US) 2008-02-28 US disclosed
EP-1868736-A1 COATING COMPOSITIONS CONTAINING HIGHLY CROSSLINKED POLYMER PARTICLES AND A HYDROPHOBIC POLYMER PPG Industries Ohio, Inc. (US) 2007-12-26 EP disclosed
WO-2006104664-A1 COATING COMPOSITIONS CONTAINING HIGHLY CROSSLINKED POLYMER PARTICLES AND A HYDROPHOBIC POLYMER PPG INDUSTRIES OHIO, INC. (US) 2006-10-05 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 (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-20120328677-A1 Active Agent Formulations, Methods of Making, and Methods of Use CEL, IDUA, SI TET2 2323/4885AKR1B1 2737/4885THRB 2803/4885
US-20100159010-A1 Active Agent Formulations, Methods of Making, and Methods of Use CEL, IDUA, SI TET2 2323/4885AKR1B1 2737/4885THRB 2803/4885

“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.