SCHEMBL10000481

SCHEMBL10000481

COc1cc(CP(=O)(O)CCCN)cc([N+](=O)[O-])c1O

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 5/20 0.69
GRM8 O00222 4/20 0.69
GRM6 O15303 2/20 0.48
GRM7 Q14831 2/20 0.48
RAB9A P51151 1/20 0.47
MAPT P10636 4/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP2D6 P10635 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
ABCB1 P08183 1/20 0.41
ABCC1 P33527 1/20 0.41

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
SCHEMBL10027421 0.81 GRM4 (1.00) GRM4GRM8GRM6GRM7
SCHEMBL20614246 0.78 RAB9A (0.57) GRM4GRM8RAB9AMAPTKDM4E
SCHEMBL10000480 0.78 GRM8 (0.72) GRM4GRM8GRM6GRM7MAPT
SCHEMBL10000482 0.77 GRM8 (0.72) GRM4GRM8GRM6GRM7MAPT
SCHEMBL7031564 0.75 RAB9A (0.60) GRM4GRM8RAB9AMAPTKDM4E
SCHEMBL8297049 0.74 RAB9A (0.59) GRM4GRM8RAB9AMAPTKDM4E
SCHEMBL345717 0.74 RAB9A (0.59) GRM4GRM8RAB9AMAPTKDM4E
SCHEMBL10728316 0.74 RAB9A (0.53) GRM4GRM8RAB9AMAPTKDM4E
SCHEMBL15649780 0.72 RAB9A (0.56) GRM4GRM8RAB9AMAPTKDM4E
SCHEMBL13187158 0.71 GRM4 (0.81) GRM4GRM8GRM6GRM7

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-20120016155-A1 DIASTEREOISOMERS OF HYPOPHOSPHOROUS ACID DERIVATIVES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2012-01-19 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-20120016155-A1 DIASTEREOISOMERS OF HYPOPHOSPHOROUS ACID DERIVATIVES PTH1R, P4HA1, FGF23 GRM4 3644/4885GRM8 4160/4885GRM6 2596/4885

“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.