SCHEMBL1089391

SCHEMBL1089391

CCCCCCC(=O)C(=O)OC(C)C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.66
CES2 O00748 4/20 0.58
CES1 P23141 4/20 0.58
FAAH O00519 3/20 0.50
MAPT P10636 2/20 0.47
MAPK1 P28482 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PPARG P37231 4/20 0.45
PPARD Q03181 4/20 0.45
PPARA Q07869 4/20 0.45
TSHR P16473 3/20 0.45
GPR84 Q9NQS5 3/20 0.45
HDAC11 Q96DB2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
SLC22A8 Q8TCC7 1/20 0.45
TLR2 O60603 1/20 0.45
ESR1 P03372 1/20 0.45

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
SCHEMBL7639959 1.00 LMNA (0.66) LMNACES2CES1FAAHMAPT
SCHEMBL7640027 1.00 LMNA (0.66) LMNACES2CES1FAAHMAPT
SCHEMBL7640159 0.98 LMNA (0.62) LMNACES2CES1FAAHMAPT
SCHEMBL1088731 0.92 CES1 (0.54) LMNACES2CES1FAAHMAPT
SCHEMBL1088188 0.83 CES2 (0.50) LMNACES2CES1TSHRALDH1A1
SCHEMBL7644750 0.82 LMNA (0.44) LMNACES2CES1FAAHMAPT
SCHEMBL7644714 0.82 LMNA (0.48) LMNACES2CES1FAAHMAPT
SCHEMBL7643138 0.82 LMNA (0.44) LMNACES2CES1FAAHMEN1
SCHEMBL15610760 0.81 LMNA (0.61) LMNACES2CES1FAAHMAPT
SCHEMBL29096239 0.81 LMNA (0.61) LMNACES2CES1FAAHMAPT

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-6248928-B1 REACTING STRONTIUM WITH A STERICALLY HINDERED ALCOHOL TO PRODUCE STRONTIUM ALKOXIDE; REACTING THE STRONTIUM ALKOXIDE WITH A BETA-DIKETONE TO FORM A STRONTIUM BETA-DIKETONATE ALCOHOL ADDUCT AND REMOVING THE ALCOHOL INORGTECH LIMITED (GB) 2001-06-19 US claimed
US-8153839-B2 Method for synthesis of keto acids or amino acids by hydration of acetylene compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2012-04-10 US disclosed
US-20090216044-A1 METHOD FOR SYNTHESIS OF KETO ACIDS OR AMINO ACIDS BY HYDRATION OF ACETYLENE COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2009-08-27 US disclosed
EP-1932824-A1 METHOD FOR SYNTHESIS OF KETO ACID OR AMINO ACID BY HYDRATION OF ACETHYLENE COMPOUND Japan Science and Technology Agency (JP) 2008-06-18 EP disclosed
US-6348617-B1 REACTING PYRUVIC ACID COMPOUND IN WATER WITH AMMONIUM OR ALKALI METAL BISULFITE TO GIVE AQUEOUS SOLUTION OF BISULFITE ADDUCT, ISOLATING BY PHASE SEPARATION, OPTIONALLY USING HYDROPHOBIC SOLVENT, CONTACTING WITH ACID TO DECOMPOSE ADDUCT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-02-19 US disclosed
US-6248928-B1 REACTING STRONTIUM WITH A STERICALLY HINDERED ALCOHOL TO PRODUCE STRONTIUM ALKOXIDE; REACTING THE STRONTIUM ALKOXIDE WITH A BETA-DIKETONE TO FORM A STRONTIUM BETA-DIKETONATE ALCOHOL ADDUCT AND REMOVING THE ALCOHOL INORGTECH LIMITED (GB) 2001-06-19 US disclosed
EP-0937703-A1 METHOD FOR PURIFYING PYRUVIC ACID COMPOUNDS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-08-25 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-20090216044-A1 METHOD FOR SYNTHESIS OF KETO ACIDS OR AMINO ACIDS BY HYDRATION OF ACETYLENE COMPOUND AADAT, BCAT2, BCAT1 LMNA 1229/4885CES2 3246/4885CES1 1695/4885

“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.