SCHEMBL1700523

SCHEMBL1700523

O=C(CCCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N[C@@H](CO)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
MAPT P10636 4/20 0.53
KDM4E B2RXH2 1/20 0.53
POLB P06746 2/20 0.51
HCAR3 P49019 2/20 0.47
PKM P14618 2/20 0.46
FOLH1 Q04609 3/20 0.46
PRSS1 P07477 2/20 0.46
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
DGAT1 O75907 6/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL1700521 1.00 ALDH1A1 (0.55) ALDH1A1MAPTKDM4EPOLBHCAR3
SCHEMBL12152296 0.85 ALDH1A1 (0.53) ALDH1A1MAPTKDM4EPOLBHCAR3
SCHEMBL37830 0.83 MAPT (0.63) ALDH1A1MAPTKDM4EPOLBHCAR3
SCHEMBL4295085 0.83 MAPT (0.63) ALDH1A1MAPTKDM4EPOLBHCAR3
SCHEMBL29928397 0.83 MAPT (0.63) ALDH1A1MAPTKDM4EPOLBHCAR3
SCHEMBL17131448 0.82 DGAT1 (0.51) ALDH1A1MAPTKDM4EPOLBPKM
SCHEMBL31558613 0.82 FOLH1 (0.47) ALDH1A1MAPTKDM4EPOLBFOLH1
SCHEMBL9755054 0.81 MAPT (0.65) ALDH1A1MAPTKDM4EPOLBHCAR3
SCHEMBL30763639 0.81 FOLH1 (0.47) ALDH1A1MAPTKDM4EPOLBHCAR3
SCHEMBL17875231 0.81 MAPT (0.56) ALDH1A1MAPTKDM4EPOLBHCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2566335-B1 CONTROLLED RELEASE OF ACTIVE COMPOUNDS FROM MACROMOLECULAR CONJUGATES PROLYNX LLC (US) 2016-06-29 EP disclosed
US-8754190-B2 Controlled release from macromolecular conjugates PROLYNX LLC (US) 2014-06-17 US disclosed
US-20130116407-A1 CONTROLLED RELEASE FROM MACROMOLECULAR CONJUGATES PROLYNX LLC 2013-05-09 US disclosed
EP-2566335-A1 CONTROLLED RELEASE FROM MACROMOLECULAR CONJUGATES Prolynx Llc (US) 2013-03-13 EP disclosed
WO-2011140393-A1 CONTROLLED RELEASE FROM MACROMOLECULAR CONJUGATES PROLYNX LLC (US) 2011-11-10 WO 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-20130116407-A1 CONTROLLED RELEASE FROM MACROMOLECULAR CONJUGATES ABCB1, ABCB11, GUSB ALDH1A1 1951/4885MAPT 728/4885KDM4E 3752/4885

“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.