SCHEMBL40166

SCHEMBL40166

CCCc1cc(O)cc(C(=O)O)c1O

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.59
PTPN11 Q06124 4/20 0.59
PTPN2 P17706 4/20 0.47
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HMGB1 P09429 3/20 0.42
MCL1 Q07820 1/20 0.41
PTPN6 P29350 2/20 0.41
CXCL12 P48061 2/20 0.41
ALOX5 P09917 4/20 0.40
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
PTGS2 P35354 3/20 0.39
PRKCI P41743 1/20 0.39

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
SCHEMBL39883 0.89 GABRP (0.49) PTPN1PTPN11PTPN2ALDH1A1HPGD
SCHEMBL39260 0.86 ALDH1A1 (0.48) PTPN1PTPN11PTPN2ALDH1A1HPGD
SCHEMBL1012355 0.86 ALOX5 (0.56) PTPN1PTPN11MCL1ALOX5PTGS2
SCHEMBL9376210 0.85 PTPN1 (0.50) PTPN1PTPN11PTPN2ALDH1A1HPGD
SCHEMBL4958008 0.84 PTPN1 (0.50) PTPN1PTPN11PTPN2ALDH1A1HPGD
SCHEMBL1173779 0.83 PTPN1 (0.47) PTPN1PTPN11PTPN2ALDH1A1HPGD
SCHEMBL2926460 0.82 TDP1 (0.47) PTPN1PTPN11PTPN2ALDH1A1HPGD
SCHEMBL28370302 0.82 PTPN1 (0.41) PTPN1PTPN11PTPN2ALDH1A1HPGD
SCHEMBL2859228 0.80 HPGD (0.47) PTPN1PTPN11ALDH1A1HPGDHSD17B10
SCHEMBL14135765 0.80 PTPN1 (0.41) PTPN1PTPN11PTPN2ALDH1A1HPGD

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
EP-2584896-A2 HERBICIDAL COMPOSITIONS BASF SE (DE) 2013-05-01 EP disclosed
US-20130102463-A1 Herbicidal Compositions BASF SE (DE) 2013-04-25 US disclosed
WO-2011161105-A2 HERBICIDAL COMPOSITIONS BASF SE (DE) 2011-12-29 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-20130102463-A1 Herbicidal Compositions PPOX, PAOX, DDT PTPN1 166/4885PTPN11 317/4885PTPN2 185/4885

“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.