SCHEMBL271848

SCHEMBL271848

[CH2]C(CC(=O)OCC)C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
MGAM O43451 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
ALDH1A1 P00352 7/20 0.42
ALOX15 P16050 3/20 0.42
CYP3A4 P08684 2/20 0.42
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
TRPA1 O75762 1/20 0.41
HSD17B10 Q99714 2/20 0.41
CHRM1 P11229 1/20 0.41
ADORA1 P30542 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 3/20 0.35
POLB P06746 1/20 0.35
SOAT1 P35610 1/20 0.34
CA1 P00915 1/20 0.34

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
SCHEMBL272457 0.87 MGAM (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL9825370 0.81 NAAA (0.44) ALDH1A1TSHRHSD17B10L3MBTL1CA1
SCHEMBL6988170 0.80 L3MBTL1 (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL128668 0.80
SCHEMBL19105350 0.78 GAA (0.54) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3066350 0.78
SCHEMBL6861091 0.77 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL22558110 0.77 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL9656517 0.76 KMT2A (0.47) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL6044927 0.76 KMT2A (0.37) ALOX15TSHRTDP1KMT2ACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741938-B2 Compounds that are useful for improving pharmacokinetics ABBVIE INC. (US) 2014-06-03 US disclosed
US-20130317071-A1 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS ABBVIE INC (US) 2013-11-28 US disclosed
US-8524753-B2 Compounds that are useful for improving pharmacokinetics ABBVIE INC. (US) 2013-09-03 US disclosed
US-20120184559-A1 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS ABBOTT LABORATORIES (US) 2012-07-19 US disclosed
US-8133892-B2 Compounds that are useful for improving pharmacokinetics ABBOTT LABORATORIES (US) 2012-03-13 US disclosed
US-20100280248-A1 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS ABBOTT LABORATORIES (US) 2010-11-04 US disclosed
US-7786153-B2 Compounds that are useful for improving pharmacokinetics ABBOTT LABORATORIES INC. (US) 2010-08-31 US disclosed
EP-1993820-A2 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS Abbott Laboratories (US) 2008-11-26 EP disclosed
WO-2007103670-A2 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS ABBOTT LABORATORIES (US) 2007-09-13 WO disclosed
US-20060199851-A1 Novel compounds that are useful for improving pharmacokinetics ABBVIE INC. 2006-09-07 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 (4 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-20120184559-A1 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS CYP11B1, CYP11B2, CYP7A1 GAA 2003/4885MGAM 2328/4885SI 485/4885
US-20060199851-A1 Novel compounds that are useful for improving pharmacokinetics CYP11B1, CYP11B2, CYP7A1 GAA 2003/4885MGAM 2328/4885SI 485/4885
US-20100280248-A1 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS CYP11B1, CYP11B2, CYP7A1 GAA 2003/4885MGAM 2328/4885SI 485/4885
US-20130317071-A1 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS CYP11B1, CYP11B2, CYP7A1 GAA 2003/4885MGAM 2328/4885SI 485/4885

“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.