SCHEMBL22892187

SCHEMBL22892187

C[C@@H]1COCC[C@H]1OC(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 3/20 0.49
▸ CHRM2 P08172 2/20 0.46
▸ CHRM4 P08173 2/20 0.46
▸ CHRM1 P11229 2/20 0.46
▸ CHRM3 P20309 2/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HTR3E A5X5Y0 2/20 0.43
▸ HTR3B O95264 2/20 0.43
▸ HTR3A P46098 2/20 0.43
▸ HTR3D Q70Z44 2/20 0.43
▸ HTR3C Q8WXA8 2/20 0.43
▸ CHRNA7 P36544 1/20 0.43
▸ APOBEC3A P31941 1/20 0.43
▸ APOBEC3G Q9HC16 1/20 0.43

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
SCHEMBL20961003 0.84 BCHE (0.47) BCHECHRM2CHRM4CHRM1CHRM3
SCHEMBL12793892 0.82 BCHE (0.51) BCHECHRM2CHRM4CHRM1CHRM3
SCHEMBL28262599 0.81 BCHE (0.55) BCHECHRM2CHRM4CHRM1CHRM3
SCHEMBL22517725 0.81 BCHE (0.47) BCHECHRM2CHRM4CHRM1CHRM3
SCHEMBL3504583 0.79 BCHE (0.46) BCHECHRM2CHRM4CHRM1CHRM3
SCHEMBL3504585 0.79 BCHE (0.46) BCHECHRM2CHRM4CHRM1CHRM3
SCHEMBL16311866 0.79 CHRM2 (0.56) BCHECHRM2CHRM4CHRM1CHRM3
SCHEMBL23785745 0.78 CHRM2 (0.57) BCHECHRM2CHRM4CHRM1CHRM3
SCHEMBL22101385 0.78 CHRNA7 (0.54) BCHEMEN1KMT2AHTR3EHTR3B
SCHEMBL28391085 0.78 SLC18A3 (0.55) BCHECHRM2CHRM4CHRM1CHRM3

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-20210009620-A1 PURE HEPTASULFATED DISACCHARIDES HAVING IMPROVED ORAL BIOAVAILABILITY OPKO PHARMACEUTICALS, LLC. 2021-01-14 — — 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-20210009620-A1 PURE HEPTASULFATED DISACCHARIDES HAVING IMPROVED ORAL BIOAVAILABILITY SI, GYS1, UGGT1 BCHE 1678/4885CHRM2 1384/4885CHRM4 1513/4885

“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.

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