SCHEMBL3406385

SCHEMBL3406385

COC(=O)CC(=O)C1(c2ccc(Cl)cc2)CCC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.53
HSD11B1 P28845 7/20 0.49
SMN1; SMN2 Q16637 5/20 0.48
ALDH1A1 P00352 4/20 0.48
MAPT P10636 4/20 0.46
LMNA P02545 3/20 0.46
MAPK1 P28482 1/20 0.46
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
EP300 Q09472 1/20 0.45
CREBBP Q92793 1/20 0.45
THRB P10828 1/20 0.44
NCOA1 Q15788 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
FFAR2 O15552 1/20 0.43

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
SCHEMBL15778834 0.94 SMN1; SMN2 (0.53) HDAC4HSD11B1SMN1; SMN2ALDH1A1MAPT
SCHEMBL9864404 0.83 HSD11B1 (0.50) HDAC4HSD11B1SMN1; SMN2ALDH1A1MAPT
SCHEMBL5274482 0.81 AKR1C1 (0.56) HDAC4SMN1; SMN2ALDH1A1LMNANPSR1
SCHEMBL7895547 0.81 CHRM2 (0.51) CHRM2CHRM1
SCHEMBL2321833 0.81 HDAC4 (0.58) HDAC4HSD11B1SMN1; SMN2ALDH1A1MAPT
SCHEMBL1769960 0.81 HDAC4 (0.54) HDAC4HSD11B1SMN1; SMN2ALDH1A1LMNA
SCHEMBL2550 0.81 HDAC4 (0.54) HDAC4HSD11B1SMN1; SMN2ALDH1A1MAPT
SCHEMBL7767870 0.81 OPRM1 (0.54) HDAC4HSD11B1SMN1; SMN2ALDH1A1MAPT
SCHEMBL3443916 0.79 HDAC4 (0.56) HDAC4HSD11B1SMN1; SMN2ALDH1A1MAPT
SCHEMBL1770373 0.79 HDAC4 (0.56) HDAC4HSD11B1SMN1; SMN2ALDH1A1MAPT

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
CN-101952275-B Modulators for amyloid protein beta HOFFMANN LA ROCHE 2014-06-18 CN 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 HDAC4 3842/4885HSD11B1 396/4885SMN1; SMN2 1705/4885
US-20130190302-A1 MODULATORS OF AMYLOID BETA APP, PSEN1, APOB HDAC4 3983/4885HSD11B1 392/4885SMN1; SMN2 1510/4885

“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.