SCHEMBL39619

SCHEMBL39619

CC(C)Cc1c(C(=O)O)cc(O)c(O)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
SELL P14151 2/20 0.38
SELP P16109 2/20 0.38
BCL2 P10415 1/20 0.38
MCL1 Q07820 1/20 0.38
THRB P10828 1/20 0.37
FFAR1 O14842 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CA12 O43570 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CA3 P07451 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL27960494 0.88 ALOX15 (0.38) AKR1C2AKR1C1ALOX15ALOX12SELL
SCHEMBL5161218 0.83 SMPD1 (0.39) AKR1C2AKR1C1ALOX15ALOX12SELL
SCHEMBL39598 0.79 SELL (0.42) ALOX15SELLSELPBCL2MCL1
SCHEMBL27751411 0.79 SELL (0.36) ALOX15ALOX12SELLSELPBCL2
SCHEMBL2135585 0.79 SELL (0.45) SELLSELPTHRBKDM4ECA12
SCHEMBL39596 0.79 SELL (0.52) AKR1C2AKR1C1SELLSELPMCL1
SCHEMBL39761 0.79 CA12 (0.41) AKR1C2AKR1C1ALOX15ALOX12CA12
SCHEMBL5653557 0.78 KAT8 (0.38) ALOX15ALOX12MCL1FUT7HMGB1
SCHEMBL5163108 0.78 KAT8 (0.38) ALOX15ALOX12MCL1FUT7HMGB1
SCHEMBL27639352 0.76 LDHA (0.49) SELLSELPMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1512323-B1 Microbicidal composition based on formaldehyde donor compounds and antioxidants AIR LIQUIDE SANTE INT (FR) 2007-02-21 EP claimed
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 800/4885ALOX15 567/4885

“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.