SCHEMBL3101570

SCHEMBL3101570

C=C(C(=O)Oc1ccc(Cl)cc1Cl)C(O)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.47
LMNA P02545 2/20 0.47
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 1/20 0.41
MAPT P10636 2/20 0.41
USP2 O75604 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP19A1 P11511 1/20 0.40
SLC6A2 P23975 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
SUCNR1 Q9BXA5 2/20 0.39
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38

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
SCHEMBL3112036 0.88 CYP11B2 (0.45) HPGDLMNASLC6A4SLC6A3KMT2A
SCHEMBL3103624 0.86 SLC6A2 (0.43) HPGDLMNASLC6A4SLC6A3SMN1; SMN2
SCHEMBL3103797 0.84 KCNA5 (0.40) LMNAKMT2ASMN1; SMN2USP2NPSR1
SCHEMBL3113999 0.84 CYP19A1 (0.46) KMT2AMEN1SMN1; SMN2USP2HTT
SCHEMBL3103206 0.83 MAPT (0.46) HPGDLMNAKMT2AMEN1MAPT
SCHEMBL3114013 0.83 ALOX15 (0.49) SLC6A4SLC6A3KMT2AMEN1USP2
SCHEMBL3104167 0.82 SLC6A2 (0.45) LMNASLC6A4SLC6A3SMN1; SMN2MAPK1
SCHEMBL3097854 0.79 POLB (0.40) SLC6A4SLC6A3KMT2ASMN1; SMN2MAPT
SCHEMBL3108078 0.79 POLB (0.40) LMNAKMT2AMEN1SMN1; SMN2HTT
SCHEMBL3109204 0.78 MEN1 (0.49) HPGDLMNAKMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100273649-A1 Fungicidal Mixtures III BASF SE (DE) 2010-10-28 US claimed
EP-2219459-A2 FUNGICIDAL MIXTURES III BASF SE (DE) 2010-08-25 EP claimed
WO-2009063076-A2 FUNGICIDAL MIXTURES III BASF SE (DE) 2009-05-22 WO claimed
US-20100273649-A1 Fungicidal Mixtures III BASF SE (DE) 2010-10-28 US disclosed
EP-2219459-A2 FUNGICIDAL MIXTURES III BASF SE (DE) 2010-08-25 EP disclosed
US-7541472-B2 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides CROPSOLUTION, INC. (US) 2009-06-02 US disclosed
US-7541472-B2 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides CROPSOLUTION, INC. (US) 2009-06-02 US disclosed
US-7541472-B2 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides CROPSOLUTION, INC. (US) 2009-06-02 US disclosed
WO-2009063076-A2 FUNGICIDAL MIXTURES III BASF SE (DE) 2009-05-22 WO disclosed
US-20060094739-A1 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides ATP CAPITAL LP 2006-05-04 US disclosed
WO-2005115148-A1 3-ARYL-3-HYDROXY-2-METHYLENEPROPIONIC ACID ESTERS AS FUNGICIDES CROPSOLUTION, INC. (US) 2005-12-08 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 (2 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-20100273649-A1 Fungicidal Mixtures III CBR3, CBR1, NOX3 HPGD 2184/4885LMNA 934/4885SLC6A4 1713/4885
US-20060094739-A1 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides CYP51A1, DDT, CYP21A2 HPGD 1586/4885LMNA 2062/4885SLC6A4 2509/4885

“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.