SCHEMBL10048460

SCHEMBL10048460

COC(=O)C1OCc2cc(OC(=O)C(C)(C)C)ccc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 10/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 3/20 0.38
CA2 P00918 5/20 0.37
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP2C9 P11712 1/20 0.35

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
SCHEMBL21505399 0.78 METAP1 (0.39) MEN1KMT2AMAPTCA2ALDH1A1
SCHEMBL10048462 0.76 ELANE (0.40) ELANEMEN1KMT2ACA2
SCHEMBL23704812 0.73 SLC6A4 (0.36) MEN1KMT2AALDH1A1SMN1; SMN2CYP2C9
SCHEMBL10048463 0.71 ELANE (0.42) ELANEMEN1KMT2ACA2
SCHEMBL10046125 0.71 ELANE (0.42) ELANEMEN1KMT2ACA2
SCHEMBL10483703 0.69 ELANE (0.56) ELANEMEN1KMT2AMAPTCA2
SCHEMBL31064525 0.67 METAP1 (0.38) MAPTALDH1A1
SCHEMBL11735810 0.67 MAOA (0.54) ELANEMEN1KMT2A
SCHEMBL19132617 0.67 MAOA (0.50) ELANEMEN1KMT2A
SCHEMBL31554124 0.66 KMT2A (0.40) KMT2AMAPTCA2ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178781-A1 KAPPA OPIOID RECEPTOR LIGANDS RESEARCH TRIANGLE INSTITUTE (US) 2012-07-12 US disclosed
US-8173678-B2 Kappa opioid receptor ligands RESEARCH TRIANGLE INSTITUTE (US) 2012-05-08 US disclosed
US-20110065743-A1 KAPPA OPIOID RECEPTOR LIGANDS RESEARCH TRIANGLE INSTITUTE (US) 2011-03-17 US disclosed
US-7872023-B2 administering 6-Hydroxy-1,2,3,4-tetrahydro-naphthalene-2(-)-carboxylic acid{1-[4-(3-hydroxyphenyl)-(3R)-(4R)-trans-dimethyl-piperidinylmethyl]-(2S)-methylpropyl}-amide, for the treatment of drug abuse and dependence RESEARCH TRIANGLE INSTITUTE (US) 2011-01-18 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 (2 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-20110065743-A1 KAPPA OPIOID RECEPTOR LIGANDS OPRK1, OPRD1, OPRM1 ELANE 2228/4885MEN1 4885/4885KMT2A 2276/4885
US-20120178781-A1 KAPPA OPIOID RECEPTOR LIGANDS OPRK1, OPRD1, OPRM1 ELANE 2228/4885MEN1 4885/4885KMT2A 2276/4885

“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.