SCHEMBL511574

SCHEMBL511574

CCOC(=O)CCCOC(C(=O)OCC)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
TOP2A P11388 2/20 0.46
CYP4F2 P78329 2/20 0.46
CYP4A11 Q02928 2/20 0.46
ALDH1A1 P00352 1/20 0.45
MMP8 P22894 1/20 0.44
ALOX5 P09917 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
LTA4H P09960 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
TBXAS1 P24557 2/20 0.42
CYSLTR2 Q9NS75 1/20 0.42
CYSLTR1 Q9Y271 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
SCHEMBL511990 0.86 FAAH (0.41) CYP3A4CYP2D6CYP2C19CYP4F2CYP4A11
SCHEMBL10257449 0.85 SMN1; SMN2 (0.50) CYP3A4ALDH1A1MMP8SMN1; SMN2TDP1
SCHEMBL27943705 0.84 NPC1 (0.51) CYP3A4ALDH1A1MMP8SMN1; SMN2TDP1
SCHEMBL16672581 0.83 MMP8 (0.50) CYP2D6ALDH1A1MMP8SMN1; SMN2TDP1
SCHEMBL10291182 0.83 MMP8 (0.44) CYP3A4ALDH1A1MMP8SMN1; SMN2TDP1
SCHEMBL28001950 0.82 MMP8 (0.49) CYP2D6ALDH1A1MMP8SMN1; SMN2TDP1
SCHEMBL17653672 0.81 MMP8 (0.54) ALDH1A1MMP8SMN1; SMN2TDP1
SCHEMBL16672673 0.81 MMP8 (0.54) ALDH1A1MMP8SMN1; SMN2TDP1
SCHEMBL27652260 0.81 MMP8 (0.54) ALDH1A1MMP8SMN1; SMN2TDP1
SCHEMBL31053242 0.81 GLS (0.48) ALDH1A1MMP8SMN1; SMN2TDP1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2668168-B1 COMPOUNDS FOR THE REDUCTION OF ß-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2017-03-01 EP disclosed
EP-2668168-B1 COMPOUNDS FOR THE REDUCTION OF ß-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2017-03-01 EP disclosed
US-20150336975-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-26 US disclosed
US-20150336975-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-26 US disclosed
EP-2459197-B1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2015-10-14 EP disclosed
EP-2459197-B1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2015-10-14 EP disclosed
US-20150152089-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2015-06-04 US disclosed
US-20150152089-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2015-06-04 US disclosed
US-8710061-B2 Compounds for the reduction of β-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-29 US disclosed
US-8710061-B2 Compounds for the reduction of β-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-29 US disclosed
US-20130178462-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-11 US disclosed
US-20130030011-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2013-01-31 US disclosed
US-20130030011-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2013-01-31 US disclosed
WO-2012103297-A1 COMPOUNDS FOR THE REDUCTION OF β-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-02 WO disclosed
EP-2459197-A1 COMPOUNDS FOR THE REDUCTION OF -AMYLOID PRODUCTION Bristol-Myers Squibb Company (US) 2012-06-06 EP disclosed
US-20120028994-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2012-02-02 US disclosed
US-20120028994-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2012-02-02 US disclosed
US-20110212937-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2011-09-01 US disclosed
US-20110212937-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2011-09-01 US disclosed
WO-2011014535-A1 COMPOUNDS FOR THE REDUCTION OF β-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-03 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 (6 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-20110212937-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP CYP3A4 2737/4885CYP2D6 3158/4885CYP2C19 4099/4885
US-20150152089-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP CYP3A4 2737/4885CYP2D6 3158/4885CYP2C19 4099/4885
US-20120028994-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP CYP3A4 2737/4885CYP2D6 3158/4885CYP2C19 4099/4885
US-20130178462-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP CYP3A4 2737/4885CYP2D6 3158/4885CYP2C19 4099/4885
US-20150336975-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP CYP3A4 2737/4885CYP2D6 3158/4885CYP2C19 4099/4885
US-20130030011-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP CYP3A4 2737/4885CYP2D6 3158/4885CYP2C19 4099/4885

“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.