SCHEMBL2955824

SCHEMBL2955824

CC(CO[C]=O)c1cc(C(=O)c2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.50
VCAM1 P19320 2/20 0.50
PTGS1 P23219 5/20 0.43
PTGS2 P35354 5/20 0.43
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
RAF1 P04049 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
GFER P55789 1/20 0.41
PAX8 Q06710 1/20 0.41
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
ELANE P08246 2/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 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
SCHEMBL12274351 0.91 VCAM1 (0.53) MAPK1VCAM1PTGS1PTGS2ALDH1A1
SCHEMBL2955209 0.84 MAPK1 (0.50) MAPK1VCAM1PTGS1PTGS2ALDH1A1
SCHEMBL26530223 0.84 MAPK1 (0.50) MAPK1VCAM1PTGS1PTGS2ALDH1A1
SCHEMBL6686068 0.84 MAPK1 (0.50) MAPK1VCAM1PTGS1PTGS2ALDH1A1
SCHEMBL2954189 0.83 MAPK1 (0.57) MAPK1VCAM1PTGS1PTGS2GABRA1
SCHEMBL2958270 0.81 APP (0.39) ALDH1A1LMNAMAPTCRHBPCRHR2
SCHEMBL27822367 0.79 MAPK1 (0.61) MAPK1VCAM1PTGS1PTGS2ALDH1A1
SCHEMBL21239 0.79 ALDH1A1 (0.47) ALDH1A1LMNAMAPTHPGD
SCHEMBL8679862 0.78 PTGS1 (0.63) MAPK1VCAM1PTGS1PTGS2ALDH1A1
SCHEMBL7592119 0.78 ALDH1A1 (0.35) VCAM1ALDH1A1LMNAMAPTGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445734-B2 Photolabile protective groups for improved processes to prepare oligonucleotide arrays NIGU CHEMIE GMBH (DE) 2013-05-21 US disclosed
US-20100292458-A1 NOVEL PHOTOLABILE PROTECTIVE GROUPS FOR IMPROVED PROCESSES TO PREPARE OLIGONUCLEOTIDE ARRAYS NIGU CHEMIE GMBH (DE) 2010-11-18 US disclosed
US-7759513-B2 Photolabile protective groups for improved processes to prepare oligonucleotide arrays NIGU CHEMIE GMBH (DE) 2010-07-20 US disclosed
US-20040175741-A1 Novel photolabile protective groups for improved processes to prepare oligonucleotide arrays NIGU CHEMIE GMBH (DE) 2004-09-09 US disclosed
WO-2004074300-A2 NOVEL PHOTOLABILE PROTECTIVE GROUPS FOR IMPROVED PROCESSES TO PREPARE OLIGONUCLEOTIDE ARRAYS NIGU CHEMIE GMBH (DE) 2004-09-02 WO 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-20100292458-A1 NOVEL PHOTOLABILE PROTECTIVE GROUPS FOR IMPROVED PROCESSES TO PREPARE OLIGONUCLEOTIDE ARRAYS NT5C3B, NSUN2, ERCC4 MAPK1 4505/4885VCAM1 3546/4885PTGS1 4219/4885
US-20040175741-A1 Novel photolabile protective groups for improved processes to prepare oligonucleotide arrays NT5C3B, NSUN2, DCLRE1B MAPK1 4558/4885VCAM1 3745/4885PTGS1 4391/4885

“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.