SCHEMBL18915843

SCHEMBL18915843

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.40
NAAA Q02083 1/20 0.40
FFAR1 O14842 1/20 0.40
ALDH1A1 P00352 2/20 0.39
ATM Q13315 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 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
SCHEMBL18916084 0.84 GPR84 (0.40) GPR84NAAAFFAR1ALDH1A1ATM
SCHEMBL18221058 0.83 NAAA (0.52) GPR84NAAAFFAR1ALDH1A1ATM
SCHEMBL18915407 0.83 NAAA (0.52) GPR84NAAAFFAR1ALDH1A1ATM
SCHEMBL942675 0.83 NAAA (0.52) GPR84NAAAFFAR1ALDH1A1ATM
SCHEMBL6368140 0.83 NAAA (0.52) GPR84NAAAFFAR1ALDH1A1ATM
SCHEMBL18947076 0.83 GPR84 (0.39) GPR84NAAAFFAR1ALDH1A1ATM
SCHEMBL18916091 0.83 NAAA (0.44) NAAAALDH1A1ATMHCAR2HPGD
SCHEMBL18914857 0.81 ALDH1A1 (0.43) NAAAALDH1A1ATMHCAR2HPGD
SCHEMBL6835404 0.80 NAAA (0.52) NAAAALDH1A1ATMHCAR2HPGD
SCHEMBL18915928 0.79 ALDH1A1 (0.40) NAAAALDH1A1ATMHCAR2HPGD

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 GPR84 2512/4885NAAA 1276/4885FFAR1 3348/4885
US-10695342-B2 Methods and compositions for preventing opioid abuse OPRM1, OPRK1, OPRD1 GPR84 2512/4885NAAA 1276/4885FFAR1 3348/4885
US-11020386-B2 Methods and compositions for preventing opioid abuse OPRM1, OPRK1, OPRD1 GPR84 2512/4885NAAA 1276/4885FFAR1 3348/4885
US-20170157116-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE OPRM1, OPRK1, OPRD1 GPR84 2512/4885NAAA 1276/4885FFAR1 3348/4885
US-20170151232-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE OPRM1, OPRK1, OPRD1 GPR84 2512/4885NAAA 1276/4885FFAR1 3348/4885

“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.