SCHEMBL29462425

SCHEMBL29462425

COc1cc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
HTR2A P28223 1/20 0.54
ALDH1A1 P00352 3/20 0.53
HTT P42858 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPT P10636 1/20 0.52
CYP3A4 P08684 2/20 0.51
CYP2C19 P33261 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MTNR1A P48039 2/20 0.49
MTNR1B P49286 2/20 0.49
GAA P10253 2/20 0.46
BCL9 O00512 1/20 0.45
CTNNB1 P35222 1/20 0.45
CYP1A2 P05177 1/20 0.44
ATM Q13315 1/20 0.44
CTSD P07339 1/20 0.43

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
SCHEMBL13324861 1.00 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AHTR2AALDH1A1
SCHEMBL13324859 0.92 HTR2A (0.51) SMN1; SMN2NPC1RAB9AHTR2AALDH1A1
SCHEMBL9062006 0.90 RAB9A (0.52) SMN1; SMN2NPC1RAB9AALDH1A1HTT
SCHEMBL7519250 0.86 HTR2A (0.55) SMN1; SMN2HTR2AALDH1A1HTTKMT2A
SCHEMBL26661473 0.86 RAB9A (0.56) SMN1; SMN2NPC1RAB9AALDH1A1HTT
SCHEMBL9846652 0.85 HTR2A (0.54) HTR2AALDH1A1HTTMAPTMEN1
SCHEMBL19978980 0.85 HTR2A (0.56) SMN1; SMN2HTR2AALDH1A1MAPTMEN1
SCHEMBL22110072 0.85 ALDH1A1 (0.47) SMN1; SMN2NPC1RAB9AHTR2AALDH1A1
SCHEMBL29586770 0.84 ALDH1A1 (0.57) SMN1; SMN2HTR2AALDH1A1HTTMAPT
SCHEMBL8445851 0.84 ALDH1A1 (0.57) SMN1; SMN2HTR2AALDH1A1HTTMAPT

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-12364759-B2 Polymer-particle light-cleavable carrier systems for photodynamic therapy Westfälische Wilhelms-Universität Münster (DE) 2025-07-22 US disclosed
US-20220047705-A1 POLYMER-PARTICLE LIGHT-CLEAVABLE CARRIER SYSTEMS FOR PHOTODYNAMIC THERAPY Westfälische Wilhelms-Universität Münster (DE) 2022-02-17 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 (2 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-12364759-B2 Polymer-particle light-cleavable carrier systems for photodynamic therapy PIN1, PPOX, CLTA SMN1; SMN2 4609/4885NPC1 1735/4885RAB9A 3995/4885
US-20220047705-A1 POLYMER-PARTICLE LIGHT-CLEAVABLE CARRIER SYSTEMS FOR PHOTODYNAMIC THERAPY PIN1, PPOX, CLTA SMN1; SMN2 4609/4885NPC1 1735/4885RAB9A 3995/4885

“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.