SCHEMBL4906424

SCHEMBL4906424

C=C(CC(O)(C(=O)OCC)P(=O)(OCC)OCC)C(=O)OCC

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 2/20 0.30
PPARD Q03181 1/20 0.30

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
SCHEMBL7911943 0.88 ALDH1A1 (0.35) ALDH1A1TSHRMAPTPPARD
SCHEMBL4893886 0.86 ALDH1A1 (0.36) ALDH1A1TSHRMAPT
SCHEMBL7920777 0.82 ALDH1A1 (0.38) ALDH1A1TSHRMAPTPPARD
SCHEMBL10468127 0.80 MAPT (0.37) ALDH1A1TSHRMAPTPPARD
SCHEMBL7919064 0.77 ALDH1A1 (0.45) ALDH1A1TSHRMAPT
SCHEMBL4896828 0.76 ALDH1A1 (0.36) ALDH1A1TSHRMAPT
SCHEMBL4903214 0.76 MAPK1 (0.32) MAPT
SCHEMBL11749488 0.76 MAPT (0.32) MAPT
SCHEMBL22490102 0.75 TET2 (0.41) ALDH1A1TSHRMAPT
SCHEMBL2770601 0.74 MEN1 (0.43) ALDH1A1TSHRMAPT

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-20080200679-A1 Alpha-HYDROXY, alpha-SUBSTITUTED METHYLENEBISPHOSPHONATES AND PHOSPHONOACETATES UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2008-08-21 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-20080200679-A1 Alpha-HYDROXY, alpha-SUBSTITUTED METHYLENEBISPHOSPHONATES AND PHOSPHONOACETATES GRHPR, PHPT1, PHYKPL ALDH1A1 493/4885TSHR 3136/4885MAPT 3518/4885

“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.