SCHEMBL4893886

SCHEMBL4893886

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

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 1/20 0.31
STING1 Q86WV6 1/20 0.30
KDM4E B2RXH2 1/20 0.30
PKM P14618 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 2/20 0.30
POLB P06746 1/20 0.30
GLO1 Q04760 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
SCHEMBL4902565 0.87 TET2 (0.41) KDM4EPKMMEN1KMT2ANPSR1
SCHEMBL4896828 0.87 ALDH1A1 (0.36) ALDH1A1TSHRMAPTNPSR1POLB
SCHEMBL4906424 0.86 ALDH1A1 (0.35) ALDH1A1TSHRMAPT
SCHEMBL7911943 0.76 ALDH1A1 (0.35) ALDH1A1TSHRMAPT
SCHEMBL22490102 0.76 TET2 (0.41) ALDH1A1TSHRMAPTSTING1KDM4E
SCHEMBL2770601 0.75 MEN1 (0.43) ALDH1A1TSHRMAPTKDM4EPKM
SCHEMBL14086409 0.75 ALDH1A1 (0.39) ALDH1A1TSHRMAPTNPSR1GLO1
SCHEMBL7067023 0.74 MMP8 (0.42) ALDH1A1TSHRMAPTKDM4EPKM
SCHEMBL22490385 0.74 ALDH1A1 (0.41) ALDH1A1TSHRMAPTKDM4EPKM
SCHEMBL7066945 0.73 MEN1 (0.41) ALDH1A1TSHRMAPTKDM4EPKM

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.