SCHEMBL56583

SCHEMBL56583

COP(=O)(CCC(C(=O)OCc1ccccc1)N(C=O)OCc1ccccc1)Oc1cccc([N+](=O)[O-])c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.41
MAPT P10636 3/20 0.38
GRM8 O00222 1/20 0.37
GRM6 O15303 1/20 0.37
GRM4 Q14833 1/20 0.37
PDE1C Q14123 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
MAOB P27338 3/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36
ATM Q13315 1/20 0.36
MAOA P21397 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
ITGA4 P13612 1/20 0.35
ITGB7 P26010 1/20 0.35

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
SCHEMBL56758 0.92 ALDH1A1 (0.39) RAB9AMAPTMEN1KMT2AATM
SCHEMBL56739 0.91 GAA (0.38) RAB9AMAPTMEN1KMT2AATM
SCHEMBL56269 0.86 TDP1 (0.40) RAB9AMAPTMEN1KMT2AATM
SCHEMBL57868 0.86 L3MBTL1 (0.37) RAB9A
SCHEMBL56887 0.84 L3MBTL1 (0.34)
SCHEMBL56833 0.84 TDP1 (0.41) RAB9AMAPTMEN1KMT2AATM
SCHEMBL57115 0.83 ATM (0.39) RAB9AMEN1KMT2AATM
SCHEMBL56408 0.83 BTN3A1 (0.37) MAPTMEN1KMT2ALMNA
SCHEMBL56466 0.82 TP53 (0.41) MAPTMEN1KMT2A
SCHEMBL57135 0.81 MAPT (0.41) RAB9AMAPTKMT2ALMNAATM

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 RAB9A 3652/4885MAPT 4437/4885GRM8 4595/4885

“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.