SCHEMBL10048461

SCHEMBL10048461

COc1cccc(COCC(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.61
CYP1A2 P05177 1/20 0.57
IDO1 P14902 2/20 0.56
AGXT P21549 2/20 0.56
MRGPRX4 Q96LA9 1/20 0.55
CTBP2 P56545 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
MAOB P27338 2/20 0.52
FFAR1 O14842 3/20 0.51
PPARD Q03181 1/20 0.51
MMP1 P03956 2/20 0.50
MMP2 P08253 2/20 0.50
MMP9 P14780 2/20 0.50
MMP12 P39900 2/20 0.50
HIF1A Q16665 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL8888362 0.85 MRGPRX4 (0.57) LMNACYP1A2IDO1AGXTMRGPRX4
SCHEMBL3907363 0.85 FFAR1 (0.56) LMNACYP1A2MRGPRX4MAOBFFAR1
SCHEMBL5038219 0.83 FFAR1 (0.63) MRGPRX4MEN1KMT2AMAOBFFAR1
SCHEMBL3768643 0.82 IDO1 (0.71) IDO1AGXTMAOB
SCHEMBL3254957 0.82 PPARA (0.52) CYP1A2IDO1AGXTMRGPRX4MEN1
SCHEMBL9911069 0.80 IDO1 (0.53) IDO1CTBP2MEN1KMT2AMAOB
SCHEMBL21657315 0.80 FFAR4 (0.44) LMNAMRGPRX4FFAR1PPARD
SCHEMBL31083932 0.80 MMP1 (0.59) LMNACYP1A2IDO1AGXTMRGPRX4
SCHEMBL29928468 0.80 FFAR4 (0.44) LMNAMRGPRX4FFAR1PPARD
SCHEMBL5038094 0.80 CTBP2 (0.47) CYP1A2IDO1CTBP2KMT2AFFAR1

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 LMNA 4618/4885CYP1A2 2289/4885IDO1 2207/4885
US-20120178781-A1 KAPPA OPIOID RECEPTOR LIGANDS OPRK1, OPRD1, OPRM1 LMNA 4618/4885CYP1A2 2289/4885IDO1 2207/4885

“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.