SCHEMBL16840440

SCHEMBL16840440

CC1(C)O[C@H]2C[C@H](CO)C[C@H]2O1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.35
▸ MGAM O43451 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ SI P14410 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ MGAM2 Q2M2H8 1/20 0.34
▸ PDE4D Q08499 1/20 0.33
▸ APLNR P35414 1/20 0.32

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
SCHEMBL17583763 1.00 EPHX2 (0.35) EPHX2MGAMCA1CA2GAA
SCHEMBL19046960 0.78 MGAM (0.32) MGAMCA1CA2GAASI
SCHEMBL14361310 0.76 MGAM (0.31) MGAMCA1CA2GAASI
SCHEMBL14361311 0.76 MGAM (0.31) MGAMCA1CA2GAASI
SCHEMBL18681405 0.74 MGAM (0.31) MGAMCA1CA2GAASI
SCHEMBL8430271 0.72 MGAM (0.37) MGAMCA1CA2GAASI
SCHEMBL5041522 0.72 MGAM (0.37) MGAMCA1CA2GAASI
SCHEMBL9263179 0.72 MGAM (0.37) MGAMCA1CA2GAASI
SCHEMBL15107645 0.71 — —
SCHEMBL782706 0.71 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150175530-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2015-06-25 — — US disclosed
US-20150175530-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2015-06-25 — — 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-20150175530-A1 ANTIBACTERIAL AGENTS MRPL21, ABCB11, LSS EPHX2 3817/4885MGAM 143/4885CA1 4596/4885

“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.

Send feedback