SCHEMBL3410686

SCHEMBL3410686

CCC(C)(C(C)=O)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
POLB P06746 2/20 0.44
MIF P14174 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CYP1A2 P05177 3/20 0.41
CYP2C19 P33261 2/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP3A4 P08684 2/20 0.40
PPARA Q07869 2/20 0.40

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
SCHEMBL27415942 0.85 MEN1 (0.47) MEN1KMT2APOLBMIFL3MBTL1
SCHEMBL1626113 0.85 MIF (0.48) MEN1KMT2APOLBMIFL3MBTL1
SCHEMBL20556837 0.85 MIF (0.48) MEN1KMT2APOLBMIFL3MBTL1
SCHEMBL4437287 0.85 MEN1 (0.47) MEN1KMT2APOLBMIFL3MBTL1
Hydrochloric Acid SCHEMBL8663111 0.83 MIF (0.47) MEN1KMT2APOLBMIFL3MBTL1
SCHEMBL3406125 0.83 MEN1 (0.45) MEN1KMT2APOLBMIFL3MBTL1
SCHEMBL13175606 0.83 MIF (0.47) MEN1KMT2APOLBMIFL3MBTL1
SCHEMBL9577452 0.81 MIF (0.46) MEN1KMT2APOLBMIFL3MBTL1
SCHEMBL684428 0.80 CYP1A2 (0.45) MEN1KMT2APOLBMIFL3MBTL1
SCHEMBL21119415 0.80 L3MBTL1 (0.47) MEN1KMT2APOLBMIFL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962834-B2 Modulators of amyloid beta HOFFMANN-LA ROCHE INC. (US) 2015-02-24 US disclosed
EP-2257541-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2013-08-14 EP disclosed
US-20130190302-A1 MODULATORS OF AMYLOID BETA HOFFMANN-LA ROCHE INC. (US) 2013-07-25 US disclosed
EP-2257541-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-12-08 EP disclosed
US-20090215759-A1 MODULATORS FOR AMYLOID BETA HOFFMANN-LA ROCHE, INC. 2009-08-27 US disclosed
WO-2009103652-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 WO disclosed
US-4814340-A 1,4-diaryl alkane derivatives having insecticidal and acaricidal activity MITSUI TOATSU CHEMICALS, INC. (JP) 1989-03-21 US disclosed
US-4661501-A Certain aryl-alkane-2-pyridyloxy-phenyl derivatives having insecticidal and acaricidal activity MITSUI TOATSU CHEMICALS, INC. (JP) 1987-04-28 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 (2 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-20090215759-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, APOB MEN1 1852/4885KMT2A 2755/4885POLB 1658/4885
US-20130190302-A1 MODULATORS OF AMYLOID BETA APP, PSEN1, APOB MEN1 1873/4885KMT2A 2670/4885POLB 1543/4885

“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.