SCHEMBL15617656

SCHEMBL15617656

CC(O)C(c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 1/20 0.56
MAPT P10636 3/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
NPC1 O15118 1/20 0.50
MAPK1 P28482 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
PHLPP2 Q6ZVD8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HSD17B10 Q99714 2/20 0.48
ACHE P22303 1/20 0.48
HPGD P15428 1/20 0.47
EPHX1 P07099 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46

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
SCHEMBL15617632 0.93 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL15617658 0.91 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL298339 0.83 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL3917351 0.83 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL1317230 0.83 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL12159675 0.80 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL13567531 0.79 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTMEN1KMT2A
Hydrogen Peroxide SCHEMBL28470548 0.79 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL254528 0.79 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL8003498 0.79 CA1 (0.66) ALDH1A1KDM4EMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9387254-B2 Prodrugs and drug-macromolecule conjugates having controlled drug release rates PROLYNX LLC (US) 2016-07-12 US disclosed
US-20140296476-A1 PRODRUGS AND DRUG-MACROMOLECULE CONJUGATES HAVING CONTROLLED DRUG RELEASE RATES PROLYNX LLC 2014-10-02 US disclosed
US-8680315-B2 Prodrugs and drug-macromolecule conjugates having controlled drug release rates PROLYNX, LLC (US) 2014-03-25 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-20140296476-A1 PRODRUGS AND DRUG-MACROMOLECULE CONJUGATES HAVING CONTROLLED DRUG RELEASE RATES ABCB1, ABCB11, DNPEP ALDH1A1 701/4885KDM4E 2898/4885MAPT 1308/4885

“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.