SCHEMBL3101528

SCHEMBL3101528

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.43
CNR1 P21554 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
IDO1 P14902 2/20 0.42
TRPV1 Q8NER1 1/20 0.40
NAMPT P43490 1/20 0.40
TSHR P16473 1/20 0.39
BRAF P15056 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
RAF1 P04049 2/20 0.38
ROCK2 O75116 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
ROS1 P08922 1/20 0.37
ALK Q9UM73 1/20 0.37

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 0.89 MEN1 (0.49) MEN1ALDH1A1LMNAMAPTHTT
SCHEMBL13817475 0.84 MAPT (0.39) CNR2CNR1MEN1ALDH1A1LMNA
SCHEMBL3097111 0.84 MAPT (0.39) CNR2CNR1MEN1ALDH1A1LMNA
SCHEMBL4507283 0.84 MEN1 (0.42) CNR2CNR1MEN1ALDH1A1LMNA
SCHEMBL3109020 0.83 TRPV1 (0.45) CNR2CNR1LMNAKMT2ATRPV1
SCHEMBL3106146 0.82 FFAR1 (0.46) MEN1KMT2AIDO1TSHRFFAR1
SCHEMBL3109418 0.81 SMN1; SMN2 (0.41) CNR2CNR1MEN1ALDH1A1LMNA
SCHEMBL13817480 0.81 CYP3A4 (0.42) ALDH1A1LMNA
SCHEMBL13817535 0.81 NPSR1 (0.44) MEN1ALDH1A1LMNAMAPTKMT2A
SCHEMBL3109119 0.81 NPC1 (0.43) CNR2CNR1LMNAKMT2AIDO1

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-20100273649-A1 Fungicidal Mixtures III BASF SE (DE) 2010-10-28 US claimed
US-20100273649-A1 Fungicidal Mixtures III BASF SE (DE) 2010-10-28 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

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-20100273649-A1 Fungicidal Mixtures III CBR3, CBR1, NOX3 CNR2 423/4885CNR1 183/4885MEN1 1718/4885

“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.