SCHEMBL6704873

SCHEMBL6704873

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
MAPT P10636 5/20 0.41
CYP3A4 P08684 2/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CYP1A2 P05177 1/20 0.41
PHLPP2 Q6ZVD8 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ACHE P22303 2/20 0.40
HSD17B10 Q99714 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
BCL9 O00512 1/20 0.39
CTNNB1 P35222 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL378398 0.83 ALDH1A1 (0.47) ALDH1A1MAPTCYP3A4TSHRMAPK1
SCHEMBL7729896 0.83 IDO1 (0.44) ALDH1A1MAPTCYP3A4TSHRMAPK1
SCHEMBL1538730 0.82 MEN1 (0.45) ALDH1A1MAPTCYP3A4TSHRL3MBTL1
SCHEMBL6308371 0.81 ALDH1A1 (0.46) ALDH1A1MAPTCYP3A4TSHRMAPK1
SCHEMBL2027813 0.78 MAPT (0.45) ALDH1A1MAPTCYP3A4TSHRMAPK1
SCHEMBL4670361 0.78 ALDH1A1 (0.37) ALDH1A1MAPTCYP3A4CYP1A2TDP1
SCHEMBL2676531 0.77 NPC1 (0.50) ALDH1A1MAPTCYP3A4TSHRMAPK1
SCHEMBL23747623 0.76 NPC1 (0.49) ALDH1A1MAPTMAPK1KDM4ENPC1
SCHEMBL2676537 0.76 NPC1 (0.46) ALDH1A1MAPTMAPK1TDP1KDM4E
SCHEMBL27372 0.75 LMNA (0.42) ALDH1A1CYP1A2KDM4EHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040235022-A1 Quality control method for manufacturing biopolymer arrays ROCHE DIAGNOSTICS GMBH (DE) 2004-11-25 US claimed
EP-1466663-A1 Quality control method for manufacturing nucleic acid arrays F. HOFFMANN-LA ROCHE AG (CH) 2004-10-13 EP claimed
US-20040235022-A1 Quality control method for manufacturing biopolymer arrays ROCHE DIAGNOSTICS GMBH (DE) 2004-11-25 US disclosed
EP-1466663-A1 Quality control method for manufacturing nucleic acid arrays F. HOFFMANN-LA ROCHE AG (CH) 2004-10-13 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 (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-20040235022-A1 Quality control method for manufacturing biopolymer arrays CTRL, PCBP1, PARG ALDH1A1 2551/4885MAPT 2010/4885CYP3A4 1511/4885

“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.