SCHEMBL4290966

SCHEMBL4290966

COC(=O)CC(CC(=O)O)CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
CACNA2D1 P54289 2/20 0.40
CACNB3 P54284 1/20 0.40
CACNA1C Q13936 1/20 0.40
PGR P06401 1/20 0.40
ADRA1A P35348 1/20 0.40
HTR2B P41595 1/20 0.40
CACNA2D2 Q9NY47 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
TET2 Q6N021 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33

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
SCHEMBL27729213 1.00 TSHR (0.44) TSHRCACNA2D1CACNB3CACNA1CPGR
SCHEMBL3197402 0.89 TSHR (0.53) TSHRHSD17B10MGAMGAASI
SCHEMBL3205660 0.88 GAA (0.46) TSHRCACNA2D1CACNB3CACNA1CHSD17B10
SCHEMBL4194017 0.85 CACNA2D1 (0.57) TSHRCACNA2D1CACNB3CACNA1CPGR
SCHEMBL665175 0.85 CACNA2D1 (0.57) TSHRCACNA2D1CACNB3CACNA1CPGR
SCHEMBL26655946 0.85 TSHR (0.38) TSHRCACNA2D1CACNB3CACNA1CPGR
SCHEMBL664788 0.85 CACNA2D1 (0.57) TSHRCACNA2D1CACNB3CACNA1CPGR
SCHEMBL21801003 0.85 TSHR (0.38) TSHRCACNA2D1CACNB3CACNA1CPGR
SCHEMBL21801004 0.85 TSHR (0.38) TSHRCACNA2D1CACNB3CACNA1CPGR
SCHEMBL28409438 0.83 TSHR (0.36) TSHRCACNA2D1CACNB3CACNA1CPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090191123-A1 NOVEL IMAGING AGENTS GE HEALTHCARE LIMITED (GB) 2009-07-30 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-20090191123-A1 NOVEL IMAGING AGENTS MMP1, CD68, KIT TSHR 4547/4885CACNA2D1 4828/4885CACNB3 3627/4885

“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.