SCHEMBL5337072

SCHEMBL5337072

O=C(O)c1ccc2c3ccc(C(=O)O)c4c(C(=O)O)ccc(c5cc[c]c1c52)c43

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
PARP1 P09874 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
WDR5 P61964 1/20 0.31
SELL P14151 1/20 0.31
SELP P16109 1/20 0.31
TYMS P04818 1/20 0.30
LDHA P00338 1/20 0.30

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
SCHEMBL3903646 0.83 CYP1A2 (0.54) CYP1A2HSD17B10ALDH1A1ALOX15WDR5
SCHEMBL30141 0.80 CYP1A2 (0.78) CYP1A2PARP1HSD17B10ALDH1A1ALOX15
SCHEMBL30117300 0.80 CYP1A2 (0.78) CYP1A2PARP1HSD17B10ALDH1A1ALOX15
Potassium SCHEMBL15992061 0.78 CYP1A2 (0.74) CYP1A2PARP1HSD17B10ALDH1A1ALOX15
SCHEMBL8716584 0.78 CYP1A2 (0.74) CYP1A2PARP1HSD17B10ALDH1A1ALOX15
SCHEMBL2244837 0.78 CYP1A2 (0.74) CYP1A2PARP1HSD17B10ALDH1A1ALOX15
Potassium SCHEMBL11899737 0.78 CYP1A2 (0.74) CYP1A2PARP1HSD17B10ALDH1A1ALOX15
SCHEMBL2249624 0.78 CYP1A2 (0.74) CYP1A2PARP1HSD17B10ALDH1A1ALOX15
Water SCHEMBL10822718 0.78 CYP1A2 (0.74) CYP1A2PARP1HSD17B10ALDH1A1ALOX15
SCHEMBL15992060 0.78 CYP1A2 (0.74) CYP1A2PARP1HSD17B10ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 619/4885PARP1 3197/4885HSD17B10 226/4885

“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.