SCHEMBL56509

SCHEMBL56509

Cc1c(OP(=O)(O)CCC(N)C(=O)O)cccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 19/20 0.57
GRM4 Q14833 19/20 0.57
GRM6 O15303 12/20 0.53
GRM7 Q14831 3/20 0.48

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
SCHEMBL56485 0.78 SLC1A5 (0.46) GRM8GRM4GRM6GRM7
SCHEMBL56829 0.78 GRM8 (0.53) GRM8GRM4GRM6
SCHEMBL56582 0.76 ALDH1A1 (0.43)
SCHEMBL4100008 0.73 GRM8 (1.00) GRM8GRM4GRM6GRM7
SCHEMBL56894 0.72 GRM8 (0.43) GRM8GRM4GRM6GRM7
SCHEMBL5362678 0.71 TDP1 (0.55)
Lysine SCHEMBL10754341 0.71 GRM4 (0.49) GRM8GRM4GRM6
SCHEMBL56340 0.70 P2RY10 (0.46)
SCHEMBL11684400 0.70 KMT2A (0.46)
SCHEMBL4102325 0.70 GRM8 (1.00) GRM8GRM4GRM6GRM7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129557-B2 Phosphonic acid diester derivative and method for producing thereof Nagai, Kazuhiro (JP) 2012-03-06 US disclosed
US-20090163725-A1 PHOSPHONIC ACID DIESTER DERIVATIVE AND METHOD FOR PRODUCING THEREOF HIRATAKE, GOU (JP) 2009-06-25 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-20090163725-A1 PHOSPHONIC ACID DIESTER DERIVATIVE AND METHOD FOR PRODUCING THEREOF PPA1, G6PD, PHOSPHO1 GRM8 4595/4885GRM4 4122/4885GRM6 3489/4885

“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.