SCHEMBL4507283

SCHEMBL4507283

C=C(C(=O)OCc1ccc(C)c(Cl)c1)C(O)c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 2/20 0.42
CASP1 P29466 1/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
CYP51A1 Q16850 2/20 0.38
BCDIN3D Q7Z5W3 1/20 0.38
ADRB3 P13945 1/20 0.38
P2RX7 Q99572 1/20 0.38
THRB P10828 1/20 0.37
NAMPT P43490 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 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
SCHEMBL3109204 0.90 MEN1 (0.49) MEN1KMT2ANPC1CASP1MAPT
SCHEMBL3101528 0.84 CNR2 (0.43) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL4496308 0.80 ALDH1A1 (0.55) MEN1KMT2ACASP1MAPTLMNA
SCHEMBL3114820 0.80 HTT (0.44) KMT2AMAPTLMNAALDH1A1HTT
SCHEMBL457177 0.79 CASP1 (0.52) MEN1KMT2ANPC1CASP1MAPT
SCHEMBL3106143 0.79 MEN1 (0.36) MEN1KMT2ANPC1MAPTLMNA
SCHEMBL3109020 0.78 TRPV1 (0.45) KMT2ALMNACNR1CNR2CYP3A4
SCHEMBL3103882 0.78 GRM5 (0.41) ALDH1A1ADRB3
SCHEMBL3106146 0.78 FFAR1 (0.46) MEN1KMT2ATP53
SCHEMBL3103554 0.78 LMNA (0.43) KMT2ANPC1LMNATP53ADRB3

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 MEN1 722/4885KMT2A 1238/4885NPC1 2050/4885

“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.