SCHEMBL12894166

SCHEMBL12894166

CC(=O)OC(C)c1c([N+](=O)[O-])ccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 5/20 0.43
LMNA P02545 4/20 0.43
MEN1 O00255 4/20 0.43
HPRT1 P00492 1/20 0.42
CASP6 P55212 1/20 0.42
NPSR1 Q6W5P4 3/20 0.41
MAPT P10636 3/20 0.41
HTT P42858 2/20 0.41
NCEH1 Q6PIU2 2/20 0.40
TSHR P16473 2/20 0.40
CTSB P07858 1/20 0.39
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HNF4A P41235 1/20 0.37

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
SCHEMBL12894184 0.88 MEN1 (0.43) ALDH1A1KMT2ALMNAMEN1HPRT1
SCHEMBL15049917 0.80 ALDH1A1 (0.45) ALDH1A1KMT2ALMNAMEN1HPRT1
SCHEMBL18622105 0.79 ALDH1A1 (0.55) ALDH1A1KMT2ALMNAMEN1HPRT1
SCHEMBL12894172 0.78 TSHR (0.50) ALDH1A1KMT2ALMNAMEN1HPRT1
SCHEMBL7056500 0.78 MEN1 (0.39) ALDH1A1KMT2ALMNAMEN1HPRT1
SCHEMBL29853852 0.76 ALDH1A1 (0.43) ALDH1A1KMT2ALMNAMEN1NPSR1
SCHEMBL4648011 0.76 ALDH1A1 (0.43) ALDH1A1KMT2ALMNAMEN1NPSR1
SCHEMBL12894170 0.76 S100A4 (0.46) ALDH1A1KMT2ALMNAMEN1NPSR1
SCHEMBL12894174 0.76 ALDH1A1 (0.43) ALDH1A1KMT2ALMNAMEN1CASP6
SCHEMBL7058541 0.76 ALDH1A1 (0.44) ALDH1A1KMT2ALMNAMEN1HPRT1

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-20110028350-A1 PHOTOCLEAVABLE PROTECTING GROUPS AFFYMETRIX, INC. (US) 2011-02-03 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 (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-20090076295-A1 PHOTOCLEAVABLE PROTECTING GROUPS POLL, PCNA, ERCC4 ALDH1A1 1340/4885KMT2A 3720/4885LMNA 467/4885
US-20110028350-A1 PHOTOCLEAVABLE PROTECTING GROUPS POLL, ERCC5, FBL ALDH1A1 2363/4885KMT2A 3611/4885LMNA 520/4885

“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.