SCHEMBL12432167

SCHEMBL12432167

CCCCCCOc1ccc(C(=O)O)c(OC)c1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.67
THRB P10828 1/20 0.67
PPARG P37231 1/20 0.64
PPARA Q07869 1/20 0.64
PTPN11 Q06124 4/20 0.60
PLA2G2A P14555 2/20 0.58
TP53 P04637 1/20 0.57
TSHR P16473 1/20 0.57
PLA2G4B P0C869 2/20 0.57
RARB P10826 3/20 0.54

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
SCHEMBL11237589 1.00 THRA (0.67) THRATHRBPPARGPPARAPTPN11
SCHEMBL1750021 0.96 PPARG (0.61) THRATHRBPPARGPPARAPTPN11
SCHEMBL5492191 0.93 PTPN11 (0.64) THRATHRBPTPN11PLA2G2ATP53
SCHEMBL7820620 0.93 PTPN11 (0.64) THRATHRBPTPN11PLA2G2ATP53
SCHEMBL8902012 0.90 THRA (0.54) THRATHRBPPARGPPARAPTPN11
SCHEMBL2454085 0.88 PPARG (0.56) THRATHRBPPARGPPARAPTPN11
SCHEMBL1750042 0.88 PTPN11 (0.57) THRATHRBPPARGPPARAPTPN11
SCHEMBL20919872 0.86 PTPN11 (0.57) THRATHRBPTPN11PLA2G2ATP53
SCHEMBL4518420 0.86 PTPN11 (0.61) THRATHRBPTPN11TP53TSHR
SCHEMBL29688035 0.85 THRA (0.61) THRATHRBPTPN11PLA2G2ATP53

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
EP-1846366-B1 NORVALINE DERIVATIVE AND METHOD FOR PREPARATION THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2011-08-03 EP disclosed
US-7718703-B2 Norvaline derivative and method for preparation thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-05-18 US disclosed
US-7718703-B2 Norvaline derivative and method for preparation thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-05-18 US disclosed
US-20080076769-A1 Norvaline Derivative and Method for Preparation Thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-03-27 US disclosed
US-20080076769-A1 Norvaline Derivative and Method for Preparation Thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-03-27 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-20080076769-A1 Norvaline Derivative and Method for Preparation Thereof SLC38A7, SLC7A1, SLC6A7 THRA 1548/4885THRB 1355/4885PPARG 2483/4885

“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.