SCHEMBL3228038

SCHEMBL3228038

CCOC(=O)C(C(=O)OCC)C1CCCC(=O)C1.[In]

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.69
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
L3MBTL1 Q9Y468 2/20 0.45
TSHR P16473 3/20 0.43
ALDH1A1 P00352 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP2D6 P10635 1/20 0.40
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
SLC6A2 P23975 4/20 0.35
SLC6A3 Q01959 4/20 0.35
SLC6A4 P31645 3/20 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
SCHEMBL5180599 0.98 THRB (0.71) THRBCYP3A4CYP2C9CYP2C19L3MBTL1
SCHEMBL3340261 0.98 THRB (0.71) THRBCYP3A4CYP2C9CYP2C19L3MBTL1
SCHEMBL5181852 0.98 THRB (0.71) THRBCYP3A4CYP2C9CYP2C19L3MBTL1
SCHEMBL14944646 0.91 THRB (0.61) THRBCYP3A4CYP2C9CYP2C19L3MBTL1
SCHEMBL5179351 0.89 THRB (0.57) THRBCYP3A4CYP2C9CYP2C19L3MBTL1
SCHEMBL5179358 0.89 THRB (0.57) THRBCYP3A4CYP2C9CYP2C19L3MBTL1
SCHEMBL5182268 0.89 THRB (0.57) THRBCYP3A4CYP2C9CYP2C19L3MBTL1
SCHEMBL17779599 0.84 THRB (0.64) THRBCYP3A4CYP2C9CYP2C19TSHR
SCHEMBL16352666 0.83 THRB (0.55) THRBCYP3A4CYP2C9CYP2C19L3MBTL1
SCHEMBL11513211 0.83 CYP3A4 (0.62) THRBCYP3A4CYP2C9CYP2C19L3MBTL1

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-8389534-B2 Pyrimidine non-classical cannabinoid compounds and related methods of use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-03-05 US disclosed
US-8349876-B2 Pyridine non-classical cannabinoid compounds and related methods of use THE UNIVERSITY OF TENNESEE RESEARCH FOUNDATION (US) 2013-01-08 US disclosed
US-20100069440-A1 PYRIDINE NON-CLASSICAL CANNABINOID COMPOUNDS AND RELATED METHODS OF USE THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2010-03-18 US disclosed
US-20100069634-A1 PYRIMIDINE NON-CLASSICAL CANNABINOID COMPOUNDS AND RELATED METHODS OF USE THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2010-03-18 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-20100069634-A1 PYRIMIDINE NON-CLASSICAL CANNABINOID COMPOUNDS AND RELATED METHODS OF USE CNR1, CNR2, GPR18 THRB 851/4885CYP3A4 1207/4885CYP2C9 976/4885
US-20100069440-A1 PYRIDINE NON-CLASSICAL CANNABINOID COMPOUNDS AND RELATED METHODS OF USE CNR1, CNR2, NPY1R THRB 1152/4885CYP3A4 548/4885CYP2C9 670/4885

“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.