SCHEMBL4487757

SCHEMBL4487757

C=C(C(=O)Oc1ccc(Cl)c(Cl)c1)C(O)c1nccs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
PIK3CD O00329 1/20 0.35
PIK3C2B O00750 1/20 0.35
AURKA O14965 1/20 0.35
PIK3C2G O75747 1/20 0.35
CDK1 P06493 1/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
CDK2 P24941 1/20 0.35
MAPK3 P27361 1/20 0.35
MAPK1 P28482 1/20 0.35
CCND3 P30281 1/20 0.35
MAPK4 P31152 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
CDK8 P49336 1/20 0.35
CDK7 P50613 1/20 0.35
CDK9 P50750 1/20 0.35
PLK1 P53350 1/20 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
SCHEMBL4493907 0.90 CHRNA3 (0.37) CHRNA3CTSA
SCHEMBL4495124 0.86 LMNA (0.42) MAPTCTSANPC1RAB9ALMNA
SCHEMBL4500155 0.85 CTSA (0.44) MAPTCTSANPC1RAB9ALMNA
SCHEMBL4506051 0.83 CTSA (0.37) CTSANPC1RAB9A
SCHEMBL4495117 0.83 CTSA (0.40) MAPTMAPK1CTSANPC1RAB9A
SCHEMBL4501220 0.83 CTSA (0.40) MAPTCTSALMNAKDM4E
SCHEMBL4494328 0.81 TRPM8 (0.39) CTSANPC1RAB9ALMNAKDM4E
SCHEMBL4497712 0.81 RAB9A (0.41) MAPTCTSANPC1RAB9ACYP1A2
SCHEMBL4489781 0.81 NPC1 (0.43) MAPTCTSANPC1RAB9AFBP1
SCHEMBL4487271 0.81 CTSA (0.36) CTSANPC1RAB9AKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060094739-A1 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides ATP CAPITAL LP 2006-05-04 US claimed
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 MAPT 3631/4885PIK3CD 2021/4885PIK3C2B 1854/4885

“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.