SCHEMBL5521471

SCHEMBL5521471

CC1(Cl)CC(C)(C(=O)O)C1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.52
MAPK1 P28482 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
TP53 P04637 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
THPO P40225 1/20 0.31
STAT6 P42226 1/20 0.31
HIF1A Q16665 1/20 0.31
NPC1 O15118 1/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
MTOR P42345 1/20 0.31
RAB9A P51151 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
HPGD P15428 1/20 0.30
GAA P10253 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
SCHEMBL4442780 0.82 FFAR3 (0.65) FFAR3MAPK1SMN1; SMN2NPSR1TP53
SCHEMBL503244 0.82 FFAR3 (0.65) FFAR3MAPK1SMN1; SMN2NPSR1TP53
SCHEMBL14012097 0.82 FFAR3 (0.65) FFAR3MAPK1SMN1; SMN2NPSR1TP53
SCHEMBL13490845 0.82 FFAR3 (0.65) FFAR3MAPK1SMN1; SMN2NPSR1TP53
SCHEMBL405480 0.82 FFAR3 (0.65) FFAR3MAPK1SMN1; SMN2NPSR1TP53
SCHEMBL21695861 0.78 FFAR3 (0.52) FFAR3MAPK1SMN1; SMN2NPSR1TP53
SCHEMBL26409341 0.77 FFAR3 (0.58) FFAR3MAPK1SMN1; SMN2NPSR1TP53
SCHEMBL16983813 0.76 FFAR3 (0.50) FFAR3MAPK1SMN1; SMN2NPSR1TP53
SCHEMBL26674823 0.74 FFAR3 (0.55) FFAR3MAPK1SMN1; SMN2NPSR1TP53
SCHEMBL5522190 0.72 FFAR3 (0.52) FFAR3MAPK1SMN1; SMN2NPSR1TP53

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-7202404-B2 Fungicidal amides BASARAB GREGORY S 2007-04-10 US disclosed
US-6683212-B1 N-(1-(2-NAPHTHALENYL)ETHYL)CYCLOBUTANECARBOXAMIDE DERIVATIVES; PLANT DISEASES; CROPS; AGRICULTURE E. I. DU PONT DE NEMOURS AND COMPANY 2004-01-27 US disclosed
US-20030191189-A1 Fungicidal amides BASARAB GREGORY S (US) 2003-10-09 US disclosed
US-6504058-B1 (1(R)-cis)-3-chloro-1,3-dimethyl-N-(1-(2-napthalenyl)ethyl) -cyclobutanecarboxamide and/or isomers, used for controlling plant diseases caused by fungi THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS 2003-01-07 US disclosed
WO-1999031048-A1 FUNGICIDAL AMIDES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 1999-06-24 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-20030191189-A1 Fungicidal amides CBR1, CBR3, CYCS FFAR3 253/4885MAPK1 2108/4885SMN1; SMN2 3966/4885

“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.