SCHEMBL3105922

SCHEMBL3105922

C=C(C(=O)OCc1ccc(Oc2ccc(Cl)cn2)cc1)C(O)c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 3/20 0.40
KMT2A Q03164 2/20 0.40
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
SCN9A Q15858 2/20 0.38
LIPE Q05469 1/20 0.38
FAAH O00519 1/20 0.38
GRM8 O00222 1/20 0.37
GRM7 Q14831 1/20 0.37
GRM4 Q14833 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LTA4H P09960 1/20 0.35
P2RX3 P56373 1/20 0.35
ACACB O00763 2/20 0.35
ACACA Q13085 2/20 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
SCHEMBL3114820 0.90 HTT (0.44) HTTSMN1; SMN2MAPTKMT2AL3MBTL1
SCHEMBL3103227 0.90 FAAH (0.47) MAPTKMT2AADRB1ADRB3FAAH
SCHEMBL3111661 0.87 LIPE (0.47) SCN9ALIPEL3MBTL1
SCHEMBL3103554 0.84 LMNA (0.43) SMN1; SMN2KMT2AADRB1ADRB3EGLN1
SCHEMBL3103882 0.84 GRM5 (0.41) ADRB1ADRB3FAAH
SCHEMBL3109418 0.79 SMN1; SMN2 (0.41) HTTSMN1; SMN2MAPTKMT2A
SCHEMBL3109119 0.78 NPC1 (0.43) KMT2AOPRM1L3MBTL1
SCHEMBL3109204 0.78 MEN1 (0.49) HTTMAPTKMT2A
SCHEMBL3101778 0.78 FAAH (0.49) FAAHL3MBTL1
SCHEMBL3103728 0.78 MAPT (0.46) HTTSMN1; SMN2MAPTKMT2AADRB1

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 8 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
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 HTT 515/4885SMN1; SMN2 4075/4885MAPT 4862/4885
US-20060094739-A1 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides CYP51A1, DDT, CYP21A2 HTT 1382/4885SMN1; SMN2 1516/4885MAPT 3631/4885

“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.