SCHEMBL4896828

SCHEMBL4896828

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
ATM Q13315 1/20 0.33
TET2 Q6N021 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
EGLN1 Q9GZT9 1/20 0.32
POLB P06746 1/20 0.31
FDPS P14324 1/20 0.31
CYP2D6 P10635 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
SCHEMBL4893886 0.87 ALDH1A1 (0.36) ALDH1A1TSHRMAPTNPSR1POLB
SCHEMBL4902565 0.77 TET2 (0.41) NPSR1TET2SMN1; SMN2POLB
SCHEMBL4906424 0.76 ALDH1A1 (0.35) ALDH1A1TSHRMAPT
SCHEMBL14086409 0.75 ALDH1A1 (0.39) ALDH1A1TSHRMAPTNPSR1ATM
Phosphoric Acid SCHEMBL10696160 0.71 ALDH1A1 (0.45) ALDH1A1TSHRMAPTNPSR1SMN1; SMN2
SCHEMBL12130916 0.71 ALDH1A1 (0.45) ALDH1A1TSHRMAPTNPSR1TET2
SCHEMBL17687582 0.70 ALDH1A1 (0.41) ALDH1A1TSHRMAPTNPSR1TET2
SCHEMBL7920777 0.70 ALDH1A1 (0.38) ALDH1A1TSHRMAPTNPSR1EGLN1
SCHEMBL28646152 0.70 ALDH1A1 (0.38) ALDH1A1TSHRMAPTNPSR1TET2
SCHEMBL16830099 0.70 ALDH1A1 (0.44) ALDH1A1TSHRMAPTNPSR1SMN1; SMN2

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.