SCHEMBL18915844

SCHEMBL18915844

CCCCOC(=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
ATM Q13315 1/20 0.46
TSHR P16473 3/20 0.43
HPGD P15428 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ABCB1 P08183 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
ZDHHC7 Q9NXF8 1/20 0.40
MAPT P10636 2/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
EPHX1 P07099 1/20 0.38
HSD17B10 Q99714 1/20 0.37
ACHE P22303 6/20 0.37

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
SCHEMBL243205 0.93 ALDH1A1 (0.61) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL12154402 0.85 ALDH1A1 (0.52) ALDH1A1ATMTSHRHCAR2NPSR1
SCHEMBL19146395 0.84 ALDH1A1 (0.55) ALDH1A1ATMTSHRHPGDABCB1
SCHEMBL10011167 0.80 ALDH1A1 (0.47) ALDH1A1TSHRCA1CA2ABCB1
SCHEMBL18915951 0.80 ALDH1A1 (0.47) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL7590049 0.78 ALDH1A1 (0.48) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL14362871 0.77 ATM (0.52) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL18221076 0.76 ALDH1A1 (0.46) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL15479188 0.76 ATM (0.50) ALDH1A1ATMTSHRHPGDABCB1
SCHEMBL17028805 0.76 ALDH1A1 (0.59) ALDH1A1ATMTSHRHPGDHCAR2

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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 66/4885ATM 4577/4885TSHR 4761/4885
US-10695342-B2 Methods and compositions for preventing opioid abuse OPRM1, OPRK1, OPRD1 ALDH1A1 66/4885ATM 4577/4885TSHR 4761/4885
US-11020386-B2 Methods and compositions for preventing opioid abuse OPRM1, OPRK1, OPRD1 ALDH1A1 66/4885ATM 4577/4885TSHR 4761/4885
US-20170157116-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE OPRM1, OPRK1, OPRD1 ALDH1A1 66/4885ATM 4577/4885TSHR 4761/4885
US-20170151232-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE OPRM1, OPRK1, OPRD1 ALDH1A1 66/4885ATM 4577/4885TSHR 4761/4885

“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.