SCHEMBL3112495

SCHEMBL3112495

C=C(C(=O)Oc1c(F)cccc1F)C(O)c1cccnc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 5/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
GRM8 O00222 1/20 0.37
GRM4 Q14833 1/20 0.37
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
NPC1 O15118 2/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
ALDH1A1 P00352 2/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL3101397 0.88 SLC6A2 (0.45) LMNASMN1; SMN2L3MBTL1POLBNPC1
SCHEMBL3103797 0.85 KCNA5 (0.40) LMNASMN1; SMN2L3MBTL1KDM4ENPC1
SCHEMBL3108241 0.84 CYP11B1 (0.41) LMNASMN1; SMN2L3MBTL1POLBADRB1
SCHEMBL3108078 0.84 POLB (0.40) LMNASMN1; SMN2L3MBTL1POLBCYP11B1
SCHEMBL3112036 0.82 CYP11B2 (0.45) LMNAL3MBTL1POLBCYP11B2KMT2A
SCHEMBL3097352 0.82 KMT2A (0.52) LMNASMN1; SMN2POLBCYP11B1CYP11B2
SCHEMBL3097854 0.81 POLB (0.40) SMN1; SMN2L3MBTL1KDM4EPOLBCYP11B1
SCHEMBL13817460 0.80 SMN1; SMN2 (0.47) LMNASMN1; SMN2KDM4EGRM8GRM4
SCHEMBL3113999 0.80 CYP19A1 (0.46) SMN1; SMN2KDM4ECYP11B1CYP11B2ALDH1A1
SCHEMBL3114013 0.79 ALOX15 (0.49) KDM4EPOLBALDH1A1USP2NPSR1

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 12 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

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 LMNA 934/4885SMN1; SMN2 4075/4885L3MBTL1 1426/4885
US-20060094739-A1 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides CYP51A1, DDT, CYP21A2 LMNA 2062/4885SMN1; SMN2 1516/4885L3MBTL1 2107/4885

“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.