SCHEMBL3368971

SCHEMBL3368971

CN(C(=O)OC(C)(C)C)c1ccc(OCCCCCBr)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
HDAC1 Q13547 1/20 0.44
GPR119 Q8TDV5 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
MCHR1 Q99705 2/20 0.40
THRA P10827 2/20 0.40
THRB P10828 2/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
PAX8 Q06710 1/20 0.40
LSS P48449 1/20 0.40
PLA2G4B P0C869 1/20 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
SCHEMBL3367105 1.00 GAA (0.44) GAAHDAC1GPR119L3MBTL1CA12
SCHEMBL3365028 0.99 L3MBTL1 (0.43) GAAHDAC1GPR119L3MBTL1CA12
SCHEMBL25960280 0.85 PAX8 (0.43) HDAC1GPR119L3MBTL1CA12CA1
SCHEMBL3364560 0.80 LSS (0.59) LSS
SCHEMBL3365192 0.80 LSS (0.59) LSS
SCHEMBL11032267 0.79 GAA (0.54) GAAGPR119L3MBTL1CA12CA1
SCHEMBL25960279 0.79 PAX8 (0.44) PAX8
SCHEMBL3365475 0.78 LSS (0.57) LSS
SCHEMBL3366751 0.78 SMN1; SMN2 (0.60) GAAHDAC1L3MBTL1
SCHEMBL8018111 0.78 PAX8 (0.55) GAATSHRPAX8

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
EP-1303503-B1 ANILINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-01-27 EP disclosed
US-6683201-B2 FOR THERAPY AND PROPHYLAXIS OF HYPERCHOLESTEROLEMIA, HYPERLIPEMIA, ARTERIOSCLEROSIS, VASCULAR DISEASES, MYCOSES, PARASITE INFECTIONS, GALLSTONES, TUMORS AND/OR HYPERPROLIFERATIVE DISORDERS, DIABETES HOFFMANN-LA ROCHE INC. 2004-01-27 US disclosed
EP-1303503-A2 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP disclosed
US-20020038025-A1 Analine derivatives as OSC inhibitors F.HOFFMANN-LA ROCHE AG (CH) 2002-03-28 US disclosed
WO-2002006189-A2 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 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-20020038025-A1 Analine derivatives as OSC inhibitors LSS, CYP51A1, CYP46A1 GAA 377/4885HDAC1 2673/4885GPR119 31/4885

“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.