SCHEMBL14215541

SCHEMBL14215541

CCOC(=O)NCCc1ccc(Oc2ccc(C)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.74
KMT2A Q03164 1/20 0.74
EPHX2 P34913 1/20 0.61
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
NCOR2 Q9Y618 1/20 0.54
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MMP13 P45452 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL5705148 0.92 KMT2A (0.74) GLAKMT2AEPHX2HDAC3HDAC4
SCHEMBL12673018 0.89 GLA (0.70) GLAKMT2AEPHX2HDAC3HDAC4
SCHEMBL579715 0.87 KMT2A (0.68) GLAKMT2AEPHX2HDAC3HDAC4
SCHEMBL580236 0.87 KMT2A (0.68) GLAKMT2AEPHX2HDAC3HDAC4
SCHEMBL579391 0.85 KMT2A (0.65) GLAKMT2AEPHX2HDAC3HDAC4
SCHEMBL793998 0.85 GLA (1.00) GLAKMT2AHDAC3HDAC4HDAC1
SCHEMBL11309905 0.82 NPC1 (0.60) GLAKMT2ANPC1SMN1; SMN2HPGD
SCHEMBL580001 0.81 GLA (0.72) GLAKMT2AHDAC3HDAC4HDAC1
SCHEMBL3723896 0.80 GLA (0.59) GLAKMT2AHDAC3HDAC4HDAC1
SCHEMBL159731 0.80 GLA (0.70) GLAKMT2AHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378448-B2 Diphenylether amide derivatives as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-05-27 US disclosed
US-20070066658-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-03-22 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 (1 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-20070066658-A1 OPIOID RECEPTOR ANTAGONISTS OPRD1, OPRM1, OPRK1 GLA 3592/4885KMT2A 3472/4885EPHX2 2120/4885

“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.