SCHEMBL39596

SCHEMBL39596

CC(C)Cc1c(C(=O)O)ccc(O)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELL P14151 1/20 0.52
SELP P16109 1/20 0.52
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
CSNK2A1 P68400 1/20 0.39
MEN1 O00255 1/20 0.38
PDE4A P27815 1/20 0.38
BLVRB P30043 1/20 0.38
KDR P35968 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
KLKB1 P03952 1/20 0.38
CTSB P07858 1/20 0.38
MMP9 P14780 1/20 0.38
DNMT1 P26358 1/20 0.38
DNMT3B Q9UBC3 1/20 0.38
DNMT3L Q9UJW3 1/20 0.38
DNMT3A Q9Y6K1 1/20 0.38
PTGS2 P35354 3/20 0.37
CA12 O43570 2/20 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
SCHEMBL3430274 0.87 SELL (0.44) SELLSELPAKR1C2AKR1C1CSNK2A1
SCHEMBL1950367 0.85 CYP1A2 (0.44) AKR1C2AKR1C1PTGS2ALOX5ALDH1A1
SCHEMBL10397924 0.81 SELL (0.39) SELLSELPAKR1C2AKR1C1CSNK2A1
SCHEMBL10397284 0.80 MCL1 (0.39) SELLSELPAKR1C2AKR1C1CSNK2A1
SCHEMBL39790 0.79 SELL (0.57) SELLSELPCSNK2A1MEN1PDE4A
SCHEMBL8735410 0.79 ALDH1A1 (0.48) AKR1C2AKR1C1CA12CA1CA2
SCHEMBL39619 0.79 AKR1C2 (0.42) SELLSELPAKR1C2AKR1C1CSNK2A1
SCHEMBL6014068 0.78 PTGS1 (0.42) AKR1C2AKR1C1MEN1PDE4AKMT2A
SCHEMBL32680301 0.78 CYP1A2 (0.38) AKR1C2AKR1C1PTGS2ALOX5ALDH1A1
SCHEMBL3391567 0.77 ALDH1A1 (0.46) PTGS2CA12CA1CA2CA7

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 SELL 4737/4885SELP 4179/4885AKR1C2 805/4885

“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.