SCHEMBL4487271

SCHEMBL4487271

C=C(C(=O)Oc1cc(C)c(Cl)c(C)c1)C(O)c1nccs1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSA P10619 5/20 0.36
TSHR P16473 2/20 0.35
MCL1 Q07820 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 3/20 0.34
NOD2 Q9HC29 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
OGG1 O15527 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
HPGD P15428 1/20 0.33
PPARG P37231 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL4494328 0.81 TRPM8 (0.39) CTSAPOLBMEN1KMT2AKDM4E
SCHEMBL4495124 0.81 LMNA (0.42) CTSATSHRMEN1KMT2ANPC1
SCHEMBL4487757 0.81 MAPT (0.38) CTSAPOLBKDM4ENPC1RAB9A
SCHEMBL4500155 0.80 CTSA (0.44) CTSAMEN1KMT2ANPC1RAB9A
SCHEMBL4489781 0.79 NPC1 (0.43) CTSATSHRL3MBTL1MEN1KMT2A
SCHEMBL4495957 0.79 CTSA (0.37) CTSAPOLBMEN1KMT2AKDM4E
SCHEMBL4493907 0.78 CHRNA3 (0.37) CTSAPPARG
SCHEMBL4497712 0.77 RAB9A (0.41) CTSAL3MBTL1MEN1KMT2ANPC1
SCHEMBL4506051 0.76 CTSA (0.37) CTSAL3MBTL1NPC1RAB9AHPGD
SCHEMBL4495117 0.76 CTSA (0.40) CTSATSHRMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (1 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-20060094739-A1 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides CYP51A1, DDT, CYP21A2 CTSA 1423/4885TSHR 2274/4885MCL1 1803/4885

“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.