SCHEMBL12894151

SCHEMBL12894151

CC(=O)OCCSc1ccccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.48
ALDH1A1 P00352 7/20 0.44
MAPT P10636 6/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
PDE7A Q13946 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.40
ALPG P10696 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL12919992 0.86 ALDH1A1 (0.43) ALDH1A1MAPTL3MBTL1POLBSLC6A2
SCHEMBL11453241 0.79 ALDH1A1 (0.47) PTGS2ALDH1A1MAPTL3MBTL1POLB
SCHEMBL17033348 0.77 SLC6A2 (0.49) ALDH1A1MAPTL3MBTL1POLBSLC6A2
SCHEMBL7458037 0.77 CA2 (0.57) ALDH1A1MAPTL3MBTL1SLC6A2SLC6A4
SCHEMBL7764834 0.77 MEN1 (0.50) PTGS2ALDH1A1MAPTL3MBTL1POLB
SCHEMBL14718637 0.77 PDE7A (0.43) ALDH1A1MAPTL3MBTL1POLBSLC6A2
SCHEMBL7421292 0.76 MAOB (0.52) ALDH1A1MAPTL3MBTL1POLBSMN1; SMN2
SCHEMBL8941933 0.76 ALDH1A1 (0.67) ALDH1A1MAPTPOLBSLC6A2SLC6A4
SCHEMBL8973221 0.74 PTGS2 (0.49) PTGS2ALDH1A1MAPTL3MBTL1SLC6A2
SCHEMBL22117070 0.74 RAB9A (0.73) ALDH1A1MAPTL3MBTL1POLBSMN1; SMN2

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-20110028350-A1 PHOTOCLEAVABLE PROTECTING GROUPS AFFYMETRIX, INC. (US) 2011-02-03 US disclosed
US-20100324266-A1 Photocleavable Protecting Groups AFFYMETRIX, INC. (US) 2010-12-23 US disclosed
US-20090076295-A1 PHOTOCLEAVABLE PROTECTING GROUPS AFFYMETRIX, INC. (US) 2009-03-19 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 (3 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-20100324266-A1 Photocleavable Protecting Groups POLL, PCNA, ERCC4 PTGS2 1544/4885ALDH1A1 1340/4885MAPT 2839/4885
US-20090076295-A1 PHOTOCLEAVABLE PROTECTING GROUPS POLL, PCNA, ERCC4 PTGS2 1544/4885ALDH1A1 1340/4885MAPT 2839/4885
US-20110028350-A1 PHOTOCLEAVABLE PROTECTING GROUPS POLL, ERCC5, FBL PTGS2 1473/4885ALDH1A1 2363/4885MAPT 2833/4885

“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.