SCHEMBL4592585

SCHEMBL4592585

CC1(C(=O)O)CCC(=O)O1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
TSHR P16473 2/20 0.49
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
PSEN1 P49768 4/20 0.38
MAPT P10636 1/20 0.37
CYP2C19 P33261 1/20 0.37
FFAR3 O14843 1/20 0.37
LMNA P02545 2/20 0.36
PRKCA P17252 4/20 0.33
CYP2C9 P11712 1/20 0.32
PPARA Q07869 2/20 0.32

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
SCHEMBL11442064 1.00 CYP1A2 (0.49) CYP1A2CYP3A4TSHRPTGS1PTGS2
SCHEMBL11451306 0.83 ALDH1A1 (0.41) CYP1A2CYP3A4TSHRPTGS1PTGS2
SCHEMBL353005 0.81 ALDH1A1 (0.40) CYP1A2CYP3A4TSHRPTGS1PTGS2
SCHEMBL11524479 0.79 ALDH1A1 (0.40) CYP1A2CYP3A4TSHRPTGS1PTGS2
SCHEMBL24591296 0.74 ALDH1A1 (0.39) CYP1A2CYP3A4TSHRALDH1A1KDM4E
SCHEMBL23252314 0.71 LMNA (0.41) TSHRLMNAPRKCA
SCHEMBL15106146 0.71 PTGS1 (0.39) CYP1A2CYP3A4TSHRPTGS1PTGS2
SCHEMBL11524516 0.70 CES2 (0.37) CYP1A2CYP3A4ALDH1A1KDM4EMAPT
SCHEMBL166075 0.70
SCHEMBL13933085 0.70 PTGS1 (0.79) CYP1A2CYP3A4TSHRPTGS1PTGS2

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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101198745-A A process for organosolv pulping and use of a gamma lactone in a solvent for organosolv pulping SHELL INT RESEARCH (NL) 2008-06-11 CN claimed
EP-1891263-A1 A PROCESS FOR ORGANOSOLV PULPING AND USE OF A GAMMA LACTONE IN A SOLVENT FOR ORGANOSOLV PULPING Shell Internationale Research Maatschappij B.V. (NL) 2008-02-27 EP claimed
US-20070100162-A1 Process for the liquefaction of lignocellulosic material SHELL OIL COMPANY 2007-05-03 US claimed
US-20070034345-A1 PROCESS FOR ORGANOSOLV PULPING AND USE OF A GAMMA LACTONE IN A SOLVENT FOR ORGANOSOLV PULPING SHELL OIL COMPANY 2007-02-15 US claimed
CN-1894230-A Process for liquefying lignocellulosic material SHELL INT RESEARCH (NL) 2007-01-10 CN claimed
WO-2006134126-A1 A PROCESS FOR ORGANOSOLV PULPING AND USE OF A GAMMA LACTONE IN A SOLVENT FOR ORGANOSOLV PULPING SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2006-12-21 WO claimed
EP-1699771-A1 A PROCESS FOR THE LIQUEFACTION OF LIGNOCELLULOSIC MATERIAL SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2006-09-13 EP claimed
WO-2005058856-A1 A PROCESS FOR THE LIQUEFACTION OF LIGNOCELLULOSIC MATERIAL SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2005-06-30 WO claimed
US-3998875-A PROCESS OF PREPARING 5-FLUORO-2-METHYL-1-(PARAMETHYLSULFINYLBENZYLIDENE)-INDENYL-3-ACETIC ACID MERCK & CO., INC. (US) 1976-12-21 US claimed
WO-2025099042-A1 ORGANOMETALLIC SN OXO CARBOXYLATE CLUSTERS WITH CARBOXYLATE LIGANDS THAT CONTAIN A LINEAR OR CYCLIC ESTER FUNCTIONALITY MERCK PATENT GMBH (DE) 2025-05-15 WO disclosed
CN-101198745-A A process for organosolv pulping and use of a gamma lactone in a solvent for organosolv pulping SHELL INT RESEARCH (NL) 2008-06-11 CN disclosed
EP-1891263-A1 A PROCESS FOR ORGANOSOLV PULPING AND USE OF A GAMMA LACTONE IN A SOLVENT FOR ORGANOSOLV PULPING Shell Internationale Research Maatschappij B.V. (NL) 2008-02-27 EP disclosed
US-20070100162-A1 Process for the liquefaction of lignocellulosic material SHELL OIL COMPANY 2007-05-03 US disclosed
US-20070034345-A1 PROCESS FOR ORGANOSOLV PULPING AND USE OF A GAMMA LACTONE IN A SOLVENT FOR ORGANOSOLV PULPING SHELL OIL COMPANY 2007-02-15 US disclosed
US-4151177-A Synthesis of optically active vitamin E HOFFMANN-LA ROCHE INC. (US) 1979-04-24 US disclosed
US-4151177-A Synthesis of optically active vitamin E HOFFMANN-LA ROCHE INC. (US) 1979-04-24 US disclosed
US-4123457-A 2-Methyl-5-fluoro-indanol-3-acetic acid MERCK & CO., INC. (US) 1978-10-31 US disclosed
US-4113740-A Synthesis of optically active vitamin E HOFFMANN-LA ROCHE INC. (US) 1978-09-12 US disclosed
US-4113740-A Synthesis of optically active vitamin E HOFFMANN-LA ROCHE INC. (US) 1978-09-12 US disclosed
US-3998875-A PROCESS OF PREPARING 5-FLUORO-2-METHYL-1-(PARAMETHYLSULFINYLBENZYLIDENE)-INDENYL-3-ACETIC ACID MERCK & CO., INC. (US) 1976-12-21 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 (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-20070100162-A1 Process for the liquefaction of lignocellulosic material ADH1C, DCXR, ADH1A CYP1A2 163/4885CYP3A4 241/4885TSHR 3963/4885

“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.