SCHEMBL39182

SCHEMBL39182

CC(C)Cc1cc(O)cc(C(=O)O)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 2/20 0.46
AKR1C1 Q04828 2/20 0.46
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GABRA1 P14867 2/20 0.41
GABRB2 P47870 2/20 0.41
PTPN1 P18031 6/20 0.40
PTPN2 P17706 2/20 0.40
PTPN6 P29350 2/20 0.40
HMGB1 P09429 2/20 0.40
CXCL12 P48061 2/20 0.40
AKR1C4 P17516 1/20 0.39
AKR1C3 P42330 1/20 0.39
PTPN11 Q06124 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ALOX5 P09917 1/20 0.37
PTGS2 P35354 1/20 0.37

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
SCHEMBL17779305 0.83 ALDH1A1 (0.46) AKR1C2AKR1C1ALDH1A1HPGDHSD17B10
SCHEMBL27950811 0.83 AKR1C2 (0.50) AKR1C2AKR1C1ALDH1A1HPGDHSD17B10
SCHEMBL39260 0.81 ALDH1A1 (0.48) AKR1C2AKR1C1ALDH1A1HPGDHSD17B10
SCHEMBL17187961 0.80 GABRA1 (0.60) GABRA1GABRB2PTPN1
SCHEMBL16418311 0.80 AKR1C2 (0.42) AKR1C2AKR1C1ALDH1A1HPGDHSD17B10
SCHEMBL15524879 0.80 GRIN2D (0.41) AKR1C2AKR1C1ALDH1A1HPGDHSD17B10
SCHEMBL15524690 0.79 ALDH1A1 (0.38) AKR1C2AKR1C1ALDH1A1HPGDHSD17B10
SCHEMBL311797 0.79 CA12 (0.50) AKR1C2AKR1C1ALDH1A1HSD17B10GABRA1
SCHEMBL13835362 0.78 ALOX5 (0.39) AKR1C2AKR1C1ALDH1A1HPGDHSD17B10
SCHEMBL23817238 0.77 HSD17B10 (0.39) AKR1C2AKR1C1ALDH1A1HPGDHSD17B10

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 AKR1C2 805/4885AKR1C1 800/4885ALDH1A1 347/4885

“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.