SCHEMBL18207174

SCHEMBL18207174

CCCCCCCCCCCCCCCCCC(=O)OC(C(=O)ON1C(=O)CCC1=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TLR2 O60603 3/20 0.41
PKM P14618 1/20 0.40
UGCG Q16739 2/20 0.40
MEN1 O00255 2/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
MAPT P10636 1/20 0.40
MTOR P42345 1/20 0.40
LMNA P02545 4/20 0.40
GMNN O75496 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39

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
SCHEMBL18207172 1.00 KMT2A (0.45) KMT2ASMN1; SMN2TLR2PKMUGCG
SCHEMBL18206043 0.94 PRKCA (0.43) KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL18206045 0.94 PRKCA (0.43) KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL18218942 0.94 PRKCA (0.43) KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL18206044 0.94 PRKCA (0.43) KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL18914900 0.89 KMT2A (0.41) KMT2ASMN1; SMN2MEN1TP53MAPT
SCHEMBL18207039 0.88 KLK7 (0.39) KMT2ASMN1; SMN2PKMMEN1CYP3A4
SCHEMBL18218927 0.85 ALDH1A1 (0.37) KMT2ASMN1; SMN2MEN1CYP3A4CYP2D6
SCHEMBL18207041 0.84 KLK7 (0.37) KMT2APKMMEN1CYP3A4CYP2D6
SCHEMBL18915737 0.84 KMT2A (0.39) KMT2ASMN1; SMN2PKMMEN1TP53

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 6 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

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 KMT2A 3110/4885SMN1; SMN2 252/4885TLR2 3549/4885
US-10695342-B2 Methods and compositions for preventing opioid abuse OPRM1, OPRK1, OPRD1 KMT2A 3110/4885SMN1; SMN2 252/4885TLR2 3549/4885
US-11020386-B2 Methods and compositions for preventing opioid abuse OPRM1, OPRK1, OPRD1 KMT2A 3110/4885SMN1; SMN2 252/4885TLR2 3549/4885
US-20160326182-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE OPRM1, OPRK1, OPRD1 KMT2A 3110/4885SMN1; SMN2 252/4885TLR2 3549/4885
US-20170157116-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE OPRM1, OPRK1, OPRD1 KMT2A 3110/4885SMN1; SMN2 252/4885TLR2 3549/4885
US-20170151232-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE OPRM1, OPRK1, OPRD1 KMT2A 3110/4885SMN1; SMN2 252/4885TLR2 3549/4885

“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.