SCHEMBL4495957

SCHEMBL4495957

C=C(C(=O)Oc1c(C)cc(Br)cc1C)C(O)c1nccs1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSA P10619 7/20 0.37
POLB P06746 2/20 0.35
PPARG P37231 2/20 0.33
NCOR2 Q9Y618 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 4/20 0.31
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPK10 P53779 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
PKM P14618 1/20 0.30

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
SCHEMBL4487271 0.79 CTSA (0.36) CTSAPOLBPPARGNCOR2NPC1
SCHEMBL4494328 0.77 TRPM8 (0.39) CTSAPOLBPPARGNCOR2NPC1
SCHEMBL4487148 0.76 CTSA (0.42) CTSANPC1RAB9AALDH1A1KMT2A
SCHEMBL4501213 0.76 CTSA (0.42) CTSAKMT2A
SCHEMBL4495124 0.74 LMNA (0.42) CTSANPC1RAB9AALDH1A1KMT2A
SCHEMBL4489781 0.74 NPC1 (0.43) CTSANPC1RAB9AALDH1A1KMT2A
SCHEMBL4495117 0.74 CTSA (0.40) CTSANPC1RAB9AALDH1A1KMT2A
SCHEMBL4506051 0.74 CTSA (0.37) CTSANPC1RAB9A
SCHEMBL4508505 0.74 HTT (0.41) CTSAALDH1A1KMT2AMEN1KDM4E
SCHEMBL4481499 0.74 CTSA (0.40) CTSA

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 5 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
WO-2005115148-A1 3-ARYL-3-HYDROXY-2-METHYLENEPROPIONIC ACID ESTERS AS FUNGICIDES CROPSOLUTION, INC. (US) 2005-12-08 WO 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 1423/4885POLB 4306/4885PPARG 940/4885

“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.