SCHEMBL3406703

SCHEMBL3406703

CCOC(=O)CC(=O)C(C)(C)c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
ABCB11 O95342 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
HTR2A P28223 1/20 0.48
PMP22 Q01453 1/20 0.48
PPARA Q07869 1/20 0.48
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.45
MAPT P10636 3/20 0.45
GAA P10253 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
GRIN2D O15399 1/20 0.42

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
SCHEMBL15778696 0.85 GRIN2D (0.45) SMN1; SMN2CYP1A2CYP3A4PPARAMEN1
SCHEMBL6677336 0.80 ABCB11 (0.61) SMN1; SMN2ABCB11CYP1A2CYP3A4TSHR
SCHEMBL897967 0.79 CNR2 (0.46) SMN1; SMN2MEN1HPGDKMT2AMAPT
SCHEMBL19578313 0.78 MEN1 (0.48) SMN1; SMN2ABCB11CYP1A2CYP3A4TSHR
SCHEMBL1904599 0.78 GRIN2D (0.51) SMN1; SMN2ABCB11CYP1A2CYP3A4TSHR
SCHEMBL1349277 0.76 TSHR (0.49) SMN1; SMN2ABCB11CYP1A2CYP3A4TSHR
SCHEMBL28351117 0.76 MGAM (0.37) SMN1; SMN2TSHRMEN1HPGDKMT2A
SCHEMBL1809731 0.75 GRIN2D (0.49) SMN1; SMN2ABCB11CYP1A2CYP3A4TSHR
SCHEMBL1624647 0.75 CYP3A4 (0.48) SMN1; SMN2ABCB11CYP1A2CYP3A4TSHR
SCHEMBL4437285 0.74 KMT2A (0.48) SMN1; SMN2CYP1A2CYP3A4TSHRPPARA

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 7 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
CN-101952275-A Modulators for amyloid beta HOFFMANN LA ROCHE 2011-01-19 CN 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

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 SMN1; SMN2 1705/4885ABCB11 3247/4885CYP1A2 4120/4885
US-20130190302-A1 MODULATORS OF AMYLOID BETA APP, PSEN1, APOB SMN1; SMN2 1510/4885ABCB11 3245/4885CYP1A2 4006/4885

“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.