SCHEMBL5032063

SCHEMBL5032063

CC(=O)OC(CC(=O)OCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SLC15A1 P46059 2/20 0.44
SYK P43405 1/20 0.44
KLK7 P49862 1/20 0.43
KLK5 Q9Y337 1/20 0.43
POLB P06746 2/20 0.43
GAA P10253 1/20 0.42
ABCB1 P08183 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ABCC3 O15438 1/20 0.40
NR1I2 O75469 1/20 0.40
ABCB11 O95342 1/20 0.40
NR3C1 P04150 1/20 0.40
RARG P13631 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
SCHEMBL18207072 1.00 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1SLC15A1SYK
SCHEMBL23843034 0.90 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1SLC15A1SYK
SCHEMBL5030099 0.85 ALDH1A1 (0.57) ALDH1A1MAPK1L3MBTL1SLC15A1ABCB1
SCHEMBL18206809 0.85 ALDH1A1 (0.57) ALDH1A1MAPK1L3MBTL1SLC15A1ABCB1
SCHEMBL7330324 0.82 ITGA4 (0.47) ALDH1A1POLBPPARA
SCHEMBL7330326 0.82 ITGA4 (0.47) ALDH1A1POLBPPARA
SCHEMBL18206794 0.82 SLC15A1 (0.42) ALDH1A1MAPK1L3MBTL1SLC15A1SYK
SCHEMBL18206793 0.82 SLC15A1 (0.42) ALDH1A1MAPK1L3MBTL1SLC15A1SYK
SCHEMBL18914889 0.82 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1SLC15A1ABCB1
SCHEMBL6075464 0.80 SLC15A1 (0.53) ALDH1A1MAPK1L3MBTL1SLC15A1SYK

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-11020386-B2 Methods and compositions for preventing opioid abuse ALBANY MOLECULAR RESEARCH, INC. (US) 2021-06-01 US disclosed
US-10695342-B2 Methods and compositions for preventing opioid abuse ALBANY MOLECULAR RESEARCH, INC. (US) 2020-06-30 US disclosed
US-10226456-B2 Methods and compositions for preventing opioid abuse 3ST RESEARCH LLC (US) 2019-03-12 US disclosed
US-20170157116-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE CURIA BUFFALO R&D, LLC 2017-06-08 US disclosed
US-20170151232-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE CURIA BUFFALO R&D, LLC 2017-06-01 US disclosed
US-20160326182-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE CURIA BUFFALO R&D, LLC 2016-11-10 US disclosed
WO-2008144728-A1 CONJUGATES WHICH BIND A BLOOD PROTEIN SUCH AS HUMAN SERUM ALBUMIN AND METHODS OF USING THE SAME IN DIAGNOSTIC AND THERAPEUTIC APPLICATIONS BRACCO IMAGING S.P.A. (IT) 2008-11-27 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 (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-10226456-B2 Methods and compositions for preventing opioid abuse OPRM1, OPRK1, OPRD1 ALDH1A1 66/4885MAPK1 4617/4885L3MBTL1 2828/4885
US-10695342-B2 Methods and compositions for preventing opioid abuse OPRM1, OPRK1, OPRD1 ALDH1A1 66/4885MAPK1 4617/4885L3MBTL1 2828/4885
US-11020386-B2 Methods and compositions for preventing opioid abuse OPRM1, OPRK1, OPRD1 ALDH1A1 66/4885MAPK1 4617/4885L3MBTL1 2828/4885
US-20160326182-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE OPRM1, OPRK1, OPRD1 ALDH1A1 66/4885MAPK1 4617/4885L3MBTL1 2828/4885
US-20170157116-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE OPRM1, OPRK1, OPRD1 ALDH1A1 66/4885MAPK1 4617/4885L3MBTL1 2828/4885
US-20170151232-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE OPRM1, OPRK1, OPRD1 ALDH1A1 66/4885MAPK1 4617/4885L3MBTL1 2828/4885

“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.