SCHEMBL3903646

SCHEMBL3903646

O=C(O)c1ccc(C(=O)O)c2c(C(=O)O)cc[c]c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
ALDH1A1 P00352 6/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 3/20 0.36
SELL P14151 1/20 0.35
SELP P16109 1/20 0.35
TSHR P16473 3/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA7 P43166 2/20 0.34
CA9 Q16790 2/20 0.34
CA14 Q9ULX7 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CASP1 P29466 1/20 0.33
KDM4E B2RXH2 4/20 0.32
MAPT P10636 3/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
ESR2 Q92731 1/20 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
SCHEMBL8529933 0.86 ALDH1A1 (0.43) CYP1A2ALDH1A1ALOX15HSD17B10SELL
SCHEMBL5337072 0.83 CYP1A2 (0.50) CYP1A2ALDH1A1ALOX15HSD17B10SELL
SCHEMBL8529935 0.81 CYP1A2 (0.50) CYP1A2ALDH1A1ALOX15HSD17B10SELL
SCHEMBL29417502 0.72 CYP1A2 (1.00) CYP1A2ALDH1A1ALOX15HSD17B10SELL
SCHEMBL22122 0.72 CYP1A2 (1.00) CYP1A2ALDH1A1ALOX15HSD17B10SELL
Water SCHEMBL7231103 0.70 CYP1A2 (0.93) CYP1A2ALDH1A1ALOX15HSD17B10SELL
SCHEMBL31441233 0.70 CYP1A2 (0.93) CYP1A2ALDH1A1ALOX15HSD17B10SELL
Lithium SCHEMBL30762269 0.70 CYP1A2 (0.93) CYP1A2ALDH1A1ALOX15HSD17B10SELL
Water SCHEMBL714855 0.70 CYP1A2 (0.93) CYP1A2ALDH1A1ALOX15HSD17B10SELL
SCHEMBL268488 0.70 CYP1A2 (0.93) CYP1A2ALDH1A1ALOX15HSD17B10SELL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558556-B1 FLEXIBLE METHOD FOR THE JOINT PRODUCTION OF (I) FORMIC ACID, (II) A CARBOXYLIC ACID COMPRISING AT LEAST TWO CARBON ATOMS AND/OR THE DERIVATIVES THEREOF, AND (III) A CARBOXYLIC ACID ANHYDRIDE BASF SE (DE) 2009-03-18 EP disclosed
US-7253316-B2 Flexible method for the joint production of (i) formic acid, (ii) a carboxylic acid comprising at least two carbon atoms and/or the derivatives thereof, and (iii) a carboxylic acid anhydride BASF AKTIENGESELLSCHAFT (DE) 2007-08-07 US disclosed
US-20060052631-A1 Flexible method for the joint production of (i) formic acid, (ii) a carboxylic acid comprising at least two carbon atoms and/or the derivatives thereof, and (iii) a carboxylic acid anhydride BASF AKTIENGESELLSCHAFT (DE) 2006-03-09 US disclosed
CN-1708473-A Flexible method for the joint production of (i) formic acid, (ii) a carboxylic acid comprising at least two carbon atoms and/or the derivatives thereof, and (iii) a carboxylic acid anhydride BASF AG (DE) 2005-12-14 CN disclosed
EP-1558556-A1 FLEXIBLE METHOD FOR THE JOINT PRODUCTION OF (I) FORMIC ACID, (II) A CARBOXYLIC ACID COMPRISING AT LEAST TWO CARBON ATOMS AND/OR THE DERIVATIVES THEREOF, AND (III) A CARBOXYLIC ACID ANHYDRIDE BASF AKTIENGESELLSCHAFT (DE) 2005-08-03 EP disclosed
WO-2004037762-A1 FLEXIBLE METHOD FOR THE JOINT PRODUCTION OF (I) FORMIC ACID, (II) A CARBOXYLIC ACID COMPRISING AT LEAST TWO CARBON ATOMS AND/OR THE DERIVATIVES THEREOF, AND (III) A CARBOXYLIC ACID ANHYDRIDE BASF AKTIENGESELLSCHAFT (DE) 2004-05-06 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-20060052631-A1 Flexible method for the joint production of (i) formic acid, (ii) a carboxylic acid comprising at least two carbon atoms and/or the derivatives thereof, and (iii) a carboxylic acid anhydride CA3, CA1, CA6 CYP1A2 619/4885ALDH1A1 215/4885ALOX15 2180/4885

“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.