SCHEMBL4122648

SCHEMBL4122648

CCC(CC)(OCC(=O)O)C(=O)OC

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.31
TSHR P16473 2/20 0.31
CTH P32929 1/20 0.31
CBS P35520 1/20 0.31
THPO P40225 1/20 0.31
FFAR3 O14843 1/20 0.31
DGAT1 O75907 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL13776376 0.80 DGAT1 (0.33) KCNN4TSHRDGAT1ALDH1A1POLB
SCHEMBL28427067 0.80 FFAR3 (0.35) TSHRCTHCBSTHPOFFAR3
SCHEMBL9673543 0.77 ALDH1A1 (0.35) TSHRCTHCBSTHPOFFAR3
SCHEMBL28190288 0.75 CYP4F2 (0.35) DGAT1ALDH1A1POLB
SCHEMBL27583662 0.75 DGAT1 (0.36) KCNN4TSHRDGAT1ALDH1A1POLB
SCHEMBL4128811 0.74 TSHR (0.39) KCNN4TSHRCTHCBSTHPO
SCHEMBL4115289 0.73
SCHEMBL4124717 0.73 ACHE (0.33)
SCHEMBL13775791 0.72 CTSK (0.32) ALDH1A1POLB
SCHEMBL4119972 0.72 TSHR (0.33) TSHRALDH1A1

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
US-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
US-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
US-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
EP-1939205-A1 TRICYCLIC COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-07-02 EP disclosed
EP-1939205-A1 TRICYCLIC COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-07-02 EP 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-20090181942-A1 TRICYCLIC COMPOUNDS FDFT1, COASY, HMGCR KCNN4 4521/4885TSHR 1672/4885CTH 186/4885

“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.