SCHEMBL3103797

SCHEMBL3103797

C=C(C(=O)Oc1c(Cl)cccc1Cl)C(O)c1cccnc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.40
CYP19A1 P11511 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
ALOX15 P16050 2/20 0.38
CASP1 P29466 1/20 0.38
USP2 O75604 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.36
CYP11B2 P19099 1/20 0.36
P2RX7 Q99572 1/20 0.36
SUCNR1 Q9BXA5 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP3A5 P20815 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL3104167 0.88 SLC6A2 (0.45) KCNA5SMN1; SMN2KDM4EALDH1A1CASP1
SCHEMBL3103624 0.87 SLC6A2 (0.43) KCNA5SMN1; SMN2CASP1LMNACYP11B2
SCHEMBL3112495 0.85 LMNA (0.40) SMN1; SMN2KDM4EALDH1A1USP2NPSR1
SCHEMBL3113999 0.85 CYP19A1 (0.46) CYP19A1SMN1; SMN2KDM4EALDH1A1ALOX15
SCHEMBL3114013 0.84 ALOX15 (0.49) KCNA5KDM4EALDH1A1ALOX15USP2
SCHEMBL3101570 0.84 HPGD (0.47) CYP19A1SMN1; SMN2KDM4EALDH1A1USP2
SCHEMBL3103206 0.81 MAPT (0.46) KDM4EALDH1A1ALOX15USP2NPSR1
SCHEMBL4496308 0.81 ALDH1A1 (0.55) KCNA5SMN1; SMN2KDM4EALDH1A1CASP1
SCHEMBL13817460 0.80 SMN1; SMN2 (0.47) KCNA5SMN1; SMN2KDM4EALDH1A1USP2
SCHEMBL3112036 0.80 CYP11B2 (0.45) CYP19A1L3MBTL1LMNAKMT2ACYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101909452-A Fungicidal mixtures III BASF SE 2010-12-08 CN claimed
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
CN-101909452-A Fungicidal mixtures III BASF SE 2010-12-08 CN disclosed
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 KCNA5 562/4885CYP19A1 402/4885SMN1; SMN2 4075/4885
US-20060094739-A1 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides CYP51A1, DDT, CYP21A2 KCNA5 1318/4885CYP19A1 30/4885SMN1; SMN2 1516/4885

“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.