SCHEMBL9010701

SCHEMBL9010701

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 4/20 0.45
POLB P06746 2/20 0.45
CYP1A2 P05177 1/20 0.45
MAPT P10636 1/20 0.44
CES1 P23141 2/20 0.44
CES2 O00748 1/20 0.43
SRD5A2 P31213 1/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CYP2C19 P33261 1/20 0.42
GSK3B P49841 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
MITF O75030 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP19A1 P11511 1/20 0.41

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
SCHEMBL7919844 0.83 ALDH1A1 (0.56) TDP1ALDH1A1POLBCYP1A2MAPT
SCHEMBL5049659 0.81 MAPT (0.47) TDP1ALDH1A1POLBCYP1A2MAPT
SCHEMBL8935134 0.81 TP53 (0.49) ALDH1A1POLBMAPTCES1CES2
SCHEMBL8935138 0.81 TP53 (0.49) ALDH1A1POLBMAPTCES1CES2
SCHEMBL11796570 0.80 TDP1 (0.44) TDP1ALDH1A1POLBCYP1A2MAPT
SCHEMBL11637439 0.80 TDP1 (0.44) TDP1ALDH1A1POLBCYP1A2MAPT
SCHEMBL5695372 0.80 MAPT (0.46) TDP1ALDH1A1POLBCYP1A2MAPT
SCHEMBL23728270 0.79 CYP2C19 (0.59) TDP1ALDH1A1POLBMAPTCES1
SCHEMBL6202390 0.79 ALDH1A1 (0.49) TDP1ALDH1A1POLBMAPTCES1
SCHEMBL7921449 0.78 HDAC3 (0.49) TDP1ALDH1A1POLBMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3474890-B1 PNEUMOCOCCAL POLYSACCHARIDE-PROTEIN CONJUGATE COMPOSITION MAX PLANCK GESELLSCHAFT (DE) 2026-05-06 EP disclosed
EP-4169577-A1 4-AMINOPHENYLPHOSPHORYLCHOLINE COMPOUNDS FOR THE INHIBITION OF C-REACTIVE PROTEIN Pentracor GmbH (DE) 2023-04-26 EP disclosed
EP-3919076-A1 SYNTHETIC OLIGOSACCHARIDE VACCINES AGAINST STREPTOCOCCUS PNEUMONIAE WITH MICROPARTICLE ADJUVANT FORMULATIONS Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2021-12-08 EP disclosed
US-11191822-B2 Pneumococcal polysaccharide-protein conjugate composition MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2021-12-07 US disclosed
WO-2021214179-A2 SYNTHETIC STREPTOCOCCUS PNEUMONIAE SACCHARIDE CONJUGATES TO CONSERVED MEMBRANE PROTEIN MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2021-10-28 WO disclosed
EP-3900739-A1 SYNTHETIC STREPTOCOCCUS PNEUMONIAE SACCHARIDE CONJUGATES TO CONSERVED MEMBRANE PROTEIN Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2021-10-27 EP disclosed
US-20190240309-A1 PNEUMOCOCCAL POLYSACCHARIDE-PROTEIN CONJUGATE COMPOSITION MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2019-08-08 US disclosed
EP-3474890-A1 PNEUMOCOCCAL POLYSACCHARIDE-PROTEIN CONJUGATE COMPOSITION Max-Planck-Gesellschaft zur Förderung der Wissenschaften E. V. (DE) 2019-05-01 EP disclosed
EP-3269385-A1 PNEUMOCOCCAL POLYSACCHARIDE-PROTEIN CONJUGATE COMPOSITION Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2018-01-17 EP disclosed
WO-2017220753-A1 PNEUMOCOCCAL POLYSACCHARIDE-PROTEIN CONJUGATE COMPOSITION MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2017-12-28 WO disclosed
WO-2014024207-A1 PROCESS FOR PREPARATION OF SUCCINYLCHOLINE CHLORIDE NEON LABORATORIES LTD. (IN) 2014-02-13 WO disclosed
EP-0404605-B1 Tri-aza macrocycles and processes for their production CELLTECH THERAPEUTICS LTD (GB) 1996-11-13 EP disclosed
US-5247077-A Tri-aza macrocycles and processes for their preparation CELLTECH LIMITED (GB) 1993-09-21 US disclosed
WO-1991000285-A1 TRI-AZA MACROCYCLES AND PROCESSES FOR THEIR PREPARATION CELLTECH LIMITED (GB) 1991-01-10 WO disclosed
EP-0404605-A2 Tri-aza macrocycles and processes for their production CELLTECH THERAPEUTICS LIMITED (GB) 1990-12-27 EP 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-20190240309-A1 PNEUMOCOCCAL POLYSACCHARIDE-PROTEIN CONJUGATE COMPOSITION STT3A, STT3B, DDOST TDP1 4158/4885ALDH1A1 4837/4885POLB 4652/4885
US-11191822-B2 Pneumococcal polysaccharide-protein conjugate composition STT3A, STT3B, DDOST TDP1 4158/4885ALDH1A1 4837/4885POLB 4652/4885

“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.