SCHEMBL7797068

SCHEMBL7797068

CCOC.O=P(O)(O)OCC1CO1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 7/20 0.42
LPAR2 Q9HBW0 5/20 0.42
FBP1 P09467 1/20 0.41
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
LPAR3 Q9UBY5 3/20 0.34
LPAR1 Q92633 2/20 0.34
TSHR P16473 2/20 0.34
MAPK1 P28482 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL1987367 0.88
SCHEMBL17135306 0.86 ENPP2 (0.43) ENPP2LPAR2FBP1ALDH1A1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL27763541 0.86 FBP1 (0.48) ENPP2LPAR2FBP1ALDH1A1SMN1; SMN2
SCHEMBL18632674 0.86 FBP1 (0.48) ENPP2LPAR2FBP1ALDH1A1SMN1; SMN2
SCHEMBL17135204 0.83 ENPP2 (0.48) ENPP2LPAR2FBP1ALDH1A1SMN1; SMN2
Dodecane SCHEMBL9803677 0.81 ENPP2 (0.57) ENPP2LPAR2ALDH1A1SMN1; SMN2TDP1
SCHEMBL7329017 0.79 CHRM2 (0.43) ENPP2LPAR2FBP1ALDH1A1SMN1; SMN2
SCHEMBL14515961 0.78 ENPP2 (0.43) ENPP2LPAR2FBP1ALDH1A1SMN1; SMN2
SCHEMBL14515947 0.78 ENPP2 (0.43) ENPP2LPAR2FBP1ALDH1A1SMN1; SMN2
Ether SCHEMBL20767714 0.77 ENPP2 (0.42) ENPP2LPAR2ALDH1A1SMN1; SMN2TDP1

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-20010031745-A1 Antiviral purine derivatives UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2001-10-18 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-20010031745-A1 Antiviral purine derivatives PNP, TYMP, MTAP ENPP2 505/4885LPAR2 2377/4885FBP1 278/4885

“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.