SCHEMBL4903214

SCHEMBL4903214

C=CCC(O)(C(=O)OCC)P(=O)(OCC)OCC

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.32
PKM P14618 2/20 0.31
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL10468127 0.81 MAPT (0.37) PKMMAPTKDM4EMEN1KMT2A
SCHEMBL18048497 0.81 PKM (0.37) MAPK1PKMMAPTKDM4EMEN1
SCHEMBL18048519 0.79 MAPK1 (0.36) MAPK1PKMMAPTKDM4EKMT2A
SCHEMBL4906424 0.76 ALDH1A1 (0.35) MAPT
SCHEMBL22323568 0.73 ALDH1A1 (0.37) MAPK1PKMMAPTKDM4EMEN1
SCHEMBL7863109 0.73 MEN1 (0.33) PKMMAPTMEN1KMT2A
SCHEMBL7859916 0.72 MEN1 (0.57) PKMMEN1KMT2A
SCHEMBL2710202 0.72 PKM (0.40) MAPK1PKMMAPTKDM4EMEN1
SCHEMBL14818419 0.71 TSHR (0.39)
SCHEMBL283884 0.71 MEN1 (0.46) MAPK1PKMKDM4EMEN1KMT2A

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 MAPK1 2890/4885PKM 1040/4885MAPT 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.