SCHEMBL2945535

SCHEMBL2945535

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
APP P05067 2/20 0.46
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP1A2 P05177 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
HPRT1 P00492 1/20 0.41
ABCB1 P08183 7/20 0.40
TSHR P16473 1/20 0.40
ADAMTS4 O75173 1/20 0.40
ABCC1 P33527 5/20 0.40
KCNMA1 Q12791 1/20 0.40
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38

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
SCHEMBL2955736 0.88 CASR (0.39) APPALDH1A1TDP1CYP1A2MEN1
SCHEMBL2950949 0.86 CYP1A2 (0.51) CRHBPCRHR2APPALDH1A1CYP1A2
SCHEMBL2952889 0.85 HTR7 (0.43) APPALDH1A1LMNAMAPTKMT2A
SCHEMBL9515026 0.83 CRHBP (0.49) CRHBPCRHR2APPALDH1A1TDP1
SCHEMBL14829760 0.82 SRD5A2 (0.36) APPCYP1A2MEN1LMNAMAPT
SCHEMBL13049961 0.82 ALDH1A1 (0.42) CRHBPCRHR2APPALDH1A1CYP1A2
SCHEMBL2949624 0.81 MEN1 (0.42) CRHBPCRHR2APPALDH1A1CYP1A2
SCHEMBL4309371 0.80 APP (0.39) CRHBPCRHR2APPALDH1A1TDP1
SCHEMBL2958270 0.80 APP (0.39) CRHBPCRHR2APPALDH1A1TDP1
SCHEMBL29695357 0.80 ALDH1A1 (0.53) ALDH1A1TDP1CYP1A2MEN1KMT2A

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 6 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 claimed
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 CRHBP 3047/4885CRHR2 3733/4885APP 4340/4885
US-20040175741-A1 Novel photolabile protective groups for improved processes to prepare oligonucleotide arrays NT5C3B, NSUN2, DCLRE1B CRHBP 2912/4885CRHR2 3797/4885APP 4344/4885

“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.