SCHEMBL19395331

SCHEMBL19395331

CCCCO[PH](=O)C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ATM Q13315 1/20 0.39
ACHE P22303 7/20 0.36
EPHX1 P07099 2/20 0.36
TSHR P16473 2/20 0.36
HPGD P15428 1/20 0.36
HCAR2 Q8TDS4 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PDE4D Q08499 1/20 0.34
CES2 O00748 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
SCHEMBL19395363 0.96 EPHX1 (0.41) ALDH1A1CA1CA2ATMACHE
SCHEMBL19395411 0.94 EPHX1 (0.44) ACHEEPHX1TSHRCES2
SCHEMBL19395332 0.94 EPHX1 (0.44) ACHEEPHX1TSHRCES2
SCHEMBL19395362 0.89 ALDH1A1 (0.33) ALDH1A1CA1CA2ATM
SCHEMBL19395351 0.81 ALDH1A1 (0.45) ALDH1A1CA1CA2ATMACHE
SCHEMBL19395340 0.80 ALDH1A1 (0.43) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL19395361 0.79
SCHEMBL19395412 0.78 ALDH1A1 (0.33) ALDH1A1
SCHEMBL2379692 0.72 ALDH1A1 (0.35) ALDH1A1CA1CA2ATMTSHR
SCHEMBL19395418 0.72 ALDH1A1 (0.50) ALDH1A1ATMACHEEPHX1TSHR

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-20170275311-A1 NON-AQUEOUS LIQUID ELECTROLYTE, ELECTRICITY STORAGE DEVICE USING SAME, AND PHOSPHORUS COMPOUND USED THEREIN UBE INDUSTRIES, LTD. (JP) 2017-09-28 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-20170275311-A1 NON-AQUEOUS LIQUID ELECTROLYTE, ELECTRICITY STORAGE DEVICE USING SAME, AND PHOSPHORUS COMPOUND USED THEREIN SCN10A, CACNA2D4, P2RY10 ALDH1A1 3034/4885CA1 467/4885CA2 130/4885

“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.