SCHEMBL18733409

SCHEMBL18733409

CCCCOC(OC(CO)[C@H](C)O)[C@@H](O)CO

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGAM O43451 3/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL19479667 1.00 MGAM (0.34) MGAMCYP3A4CYP2C9CYP2C19USP2
SCHEMBL23315818 0.85
SCHEMBL19604939 0.85
SCHEMBL20019513 0.84 CYP2D6 (0.36) CYP3A4USP2
SCHEMBL16129441 0.83
SCHEMBL20096515 0.83
SCHEMBL19383253 0.82 USP2 (0.41) MGAMUSP2ALDH1A1CNR1CNR2
SCHEMBL18500790 0.82 USP2 (0.41) MGAMUSP2ALDH1A1CNR1CNR2
SCHEMBL16590506 0.81
SCHEMBL22872158 0.81

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-20170102349-A1 ELECTROCHEMICAL METHODS AND COMPOUNDS FOR THE DETECTION OF ENZYMES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-04-13 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-20170102349-A1 ELECTROCHEMICAL METHODS AND COMPOUNDS FOR THE DETECTION OF ENZYMES EPX, DNASE1, DERA MGAM 19/4885CYP3A4 165/4885CYP2C9 402/4885

“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.