SCHEMBL18347308

SCHEMBL18347308

CCOC(=O)C=C(CC)CC(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.54
MGAM O43451 1/20 0.54
SI P14410 1/20 0.54
MGAM2 Q2M2H8 1/20 0.54
NPSR1 Q6W5P4 1/20 0.53
HCAR2 Q8TDS4 1/20 0.41
ALDH1A1 P00352 3/20 0.40
TRPA1 O75762 1/20 0.40
SOAT1 P35610 1/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CYP1A2 P05177 1/20 0.35
LMNA P02545 2/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 1/20 0.34
NLRP3 Q96P20 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
SCHEMBL354027 0.85 NPSR1 (0.58) GAAMGAMSIMGAM2NPSR1
SCHEMBL9838433 0.82 GAA (0.47) GAAMGAMSIMGAM2NPSR1
SCHEMBL9838436 0.82 GAA (0.47) GAAMGAMSIMGAM2NPSR1
SCHEMBL20632658 0.79 NPSR1 (0.52) GAAMGAMSIMGAM2NPSR1
SCHEMBL10371323 0.78 GAA (0.56) GAAMGAMSIMGAM2NPSR1
SCHEMBL9838216 0.78 GAA (0.56) GAAMGAMSIMGAM2NPSR1
SCHEMBL28405928 0.78 GAA (0.56) GAAMGAMSIMGAM2NPSR1
SCHEMBL20632184 0.78 NPSR1 (0.50) GAAMGAMSIMGAM2NPSR1
SCHEMBL10371321 0.78 GAA (0.56) GAAMGAMSIMGAM2NPSR1
SCHEMBL6974628 0.76 GAA (0.54) GAAMGAMSIMGAM2NPSR1

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-20160376289-A1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-12-29 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-20160376289-A1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND CBR3, CBR1, CYCS GAA 4633/4885MGAM 4830/4885SI 4861/4885

“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.