SCHEMBL3103554

SCHEMBL3103554

C=C(C(=O)OCc1ccc(Oc2ccccc2)cc1)C(O)c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
RAB9A P51151 2/20 0.43
TP53 P04637 2/20 0.43
NPC1 O15118 1/20 0.43
RECQL P46063 1/20 0.43
NAMPT P43490 2/20 0.42
GPR132 Q9UNW8 2/20 0.41
EGLN2 Q96KS0 2/20 0.40
EGLN1 Q9GZT9 2/20 0.40
KDM4C Q9H3R0 1/20 0.40
PSMB5 P28074 1/20 0.40
GAA P10253 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
GFER P55789 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL3114820 0.91 HTT (0.44) LMNAKMT2ATDP1GPR132GAA
SCHEMBL3103882 0.89 GRM5 (0.41) GPR132ADRB1ADRB3
SCHEMBL3103596 0.85 RAB9A (0.47) LMNATDP1RAB9ATP53NPC1
SCHEMBL3109119 0.85 NPC1 (0.43) LMNAKMT2ATDP1RAB9ANPC1
SCHEMBL3105922 0.84 HTT (0.41) KMT2AEGLN1ADRB1ADRB3SMN1; SMN2
SCHEMBL3109020 0.83 TRPV1 (0.45) LMNAKMT2ATDP1GPR132
SCHEMBL3111661 0.82 LIPE (0.47) LMNARAB9ANPC1
SCHEMBL3109418 0.82 SMN1; SMN2 (0.41) LMNAKMT2ASMN1; SMN2
SCHEMBL3109204 0.80 MEN1 (0.49) LMNAKMT2ARAB9ANPC1TBXAS1
SCHEMBL3069625 0.80 LMNA (0.45) LMNAKMT2ATDP1RAB9ATP53

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
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-20060094739-A1 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides ATP CAPITAL LP 2006-05-04 US claimed
WO-2005115148-A1 3-ARYL-3-HYDROXY-2-METHYLENEPROPIONIC ACID ESTERS AS FUNGICIDES CROPSOLUTION, INC. (US) 2005-12-08 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

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 934/4885KMT2A 3860/4885TDP1 1749/4885
US-20060094739-A1 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides CYP51A1, DDT, CYP21A2 LMNA 2062/4885KMT2A 1238/4885TDP1 2148/4885

“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.