SCHEMBL4483012

SCHEMBL4483012

C=C(C(=O)OCc1ccccc1C(F)(F)F)C(O)c1nccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.40
MAOA P21397 1/20 0.40
CTSA P10619 4/20 0.39
SCD O00767 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
IDO1 P14902 2/20 0.37
SGMS2 Q8NHU3 1/20 0.37
TGM2 P21980 1/20 0.36
PLK1 P53350 2/20 0.36
MAP4K4 O95819 1/20 0.36
CSF1R P07333 1/20 0.36
PIM1 P11309 1/20 0.36
KDR P35968 1/20 0.36
NEK2 P51955 1/20 0.36
LIMK1 P53667 1/20 0.36
STK3 Q13188 1/20 0.36
CAMK2B Q13554 1/20 0.36
CAMK2G Q13555 1/20 0.36
CAMK2D Q13557 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
SCHEMBL13817536 0.91 CTSA (0.39) CTSASCDALDH1A1TDP1NPC1
SCHEMBL13817481 0.90 P2RX7 (0.39) CTSANPC1RAB9AFFAR4
SCHEMBL4495946 0.84 CASP1 (0.44) MAOBMAOACTSAALDH1A1HTT
SCHEMBL4498480 0.80 CASP1 (0.40) CTSAIDO1
SCHEMBL13817537 0.80 CTSA (0.45) CTSAALDH1A1IDO1NPC1RAB9A
SCHEMBL13817539 0.80 NR3C2 (0.39) CTSANPC1RAB9AFFAR1
SCHEMBL4506759 0.80 FFAR1 (0.43) MAOBCTSANPC1RAB9AFFAR1
SCHEMBL13817470 0.79 IDO1 (0.42) MAOBCTSAIDO1KDRFFAR1
SCHEMBL13817541 0.79 CTSA (0.37) CTSAALDH1A1NPC1RAB9AFFAR1
SCHEMBL13817540 0.79 NPC1 (0.39) CTSANPC1RAB9AFFAR1FFAR4

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 MAOB 757/4885MAOA 394/4885CTSA 1423/4885

“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.