SCHEMBL3097352

SCHEMBL3097352

C=C(C(=O)Oc1ccc(F)cc1)C(O)c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.52
ATM Q13315 1/20 0.52
POLB P06746 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
EPHX2 P34913 1/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 2/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 2/20 0.38
THRB P10828 1/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.37
PTGS2 P35354 1/20 0.37
GAA P10253 1/20 0.36
RAB9A P51151 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
SCHEMBL13817460 0.88 SMN1; SMN2 (0.47) SMN1; SMN2USP2TSHREPHX2LMNA
SCHEMBL3113999 0.87 CYP19A1 (0.46) KMT2ASMN1; SMN2USP2TSHRCYP11B1
SCHEMBL3103920 0.87 KMT2A (0.52) KMT2ASMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL3101186 0.87 KMT2A (0.52) KMT2APOLBTSHRALDH1A1GAA
SCHEMBL3108241 0.86 CYP11B1 (0.41) KMT2AATMPOLBSMN1; SMN2CYP11B1
SCHEMBL3103596 0.86 RAB9A (0.47) SMN1; SMN2TSHRLMNATP53MAPT
SCHEMBL27846974 0.84 CYP2A6 (0.40) KMT2AATMSMN1; SMN2LMNAALDH1A1
SCHEMBL3108078 0.84 POLB (0.40) KMT2AATMPOLBSMN1; SMN2CYP11B1
SCHEMBL3097854 0.84 POLB (0.40) KMT2AATMPOLBSMN1; SMN2TSHR
SCHEMBL3108557 0.83 L3MBTL1 (0.39) KMT2AATMCYP11B2LMNATP53

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 KMT2A 3860/4885ATM 4524/4885POLB 4399/4885
US-20060094739-A1 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides CYP51A1, DDT, CYP21A2 KMT2A 1238/4885ATM 4816/4885POLB 4306/4885

“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.