SCHEMBL2033351

SCHEMBL2033351

O=C(OOCc1ccccc1)O[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 2/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP19A1 P11511 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
CPA1 P15085 3/20 0.38
TMEM97 Q5BJF2 1/20 0.38
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
TSHR P16473 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
SCHEMBL909807 0.83 ALDH1A1 (0.52) NPC1RAB9AALDH1A1TDP1MAPK1
SCHEMBL5167833 0.82 ALDH1A1 (0.52) NPC1RAB9AALDH1A1TDP1MAPK1
SCHEMBL4441192 0.79 ALDH1A1 (0.47) NPC1RAB9AALDH1A1TDP1MAPK1
SCHEMBL9065651 0.77 ALDH1A1 (0.57) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL7440434 0.76 HTR2A (0.53) NPC1RAB9AALDH1A1
SCHEMBL27471961 0.75 ALDH1A1 (0.50) NPC1RAB9AALDH1A1TDP1MAPK1
SCHEMBL2963499 0.74 TSHR (0.44) NPC1RAB9AALDH1A1TDP1MAPK1
SCHEMBL1041654 0.74 ALDH1A1 (0.52) NPC1RAB9AALDH1A1TDP1MAPK1
SCHEMBL733740 0.74 ALDH1A1 (0.44) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL12476191 0.74 ALOX5 (0.39) ALDH1A1KMT2ACES2CES1

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6953850-B1 Protecting groups for carbohydrate synthesis ALCHEMIA PTY. LTD. (AU) 2005-10-11 US claimed
US-20130123486-A1 Photogenerated reagents GAO XIAOLIAN (US) 2013-05-16 US disclosed
US-8076501-B2 Photogenerated reagents LC SCIENCES LC 2011-12-13 US disclosed
US-20110251109-A1 Fluidic methods for devices for parallel chemical reactions Life Technologies Corporation (US) 2011-10-13 US disclosed
US-20110170075-A1 DEVICE FOR CHEMICAL AND BIOCHEMICAL REACTIONS USING PHOTO-GENERATED REAGENTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2011-07-14 US disclosed
EP-2332645-A1 Apparatus for chemical and biochemical reactions using photo-generated reagents THE UNIVERSITY OF HOUSTON (US) 2011-06-15 EP disclosed
US-7838466-B2 Device for chemical and biochemical reactions using photo-generated reagents THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-11-23 US disclosed
US-20100137600-A1 Photogenerated reagents LC SCIENCES LC 2010-06-03 US disclosed
US-7544829-B2 Photogenerated reagents LC SCIENCES LC 2009-06-09 US disclosed
US-7544638-B2 Device for chemical and biochemical reactions using photo-generated reagents THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-06-09 US disclosed
US-20030118486-A1 Fluidic methods and devices for parallel chemical reactions XEOTRON CORPORATION (US) 2003-06-26 US disclosed
US-20030091476-A1 Comprises microscopic vessels; for microarrays of DNA and RNA oligonucleotides, peptides, oligosacchrides, and phospholipids; genetic mapping; drug screening Life Technologies Corporation 2003-05-15 US disclosed
EP-1301268-A2 DEVICES AND METHODS FOR CARRYING OUT CHEMICAL REACTIONS USING PHOTOGENERATED REAGENTS Xeotron Corporation (US) 2003-04-16 EP disclosed
EP-1258288-A2 Method and apparatus for chemical and biochemical reactions using photo-generated reagents THE UNIVERSITY OF HOUSTON (US) 2002-11-20 EP disclosed
US-6426184-B1 MAKING MULTIMERS SUCH AS DNA OR PEPTIDES IN CHEMICAL REACTOR BY SOLUTION-BASED PHOTOCHEMICAL REACTIONS INVOLVING REAGENTS GENERATED IN SITU BY IRRADIATION THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2002-07-30 US disclosed
US-20020081582-A1 Making multimers such as DNA or peptides in chemical reactor by solution-based photochemical reactions involving reagents generated in situ by irradiation REGENTS OF THE UNIVERSITY OF MICHIGAN, THE 2002-06-27 US disclosed
US-20020012616-A1 Useful for distributing liquids, implementing discrete photochemical reactions for in situ production of reagents, and activating discrete chemical and biochemical reactions Life Technologies Corporation 2002-01-31 US disclosed
WO-2002002227-A2 DEVICES AND METHODS FOR CARRYING OUT CHEMICAL REACTIONS USING PHOTOGENERATED REAGENTS XEOTRON CORPORATION (US) 2002-01-10 WO disclosed
EP-1054726-A2 METHOD AND APPARATUS FOR CHEMICAL AND BIOCHEMICAL REACTIONS USING PHOTO-GENERATED REAGENTS THE UNIVERSITY OF HOUSTON (US) 2000-11-29 EP disclosed
WO-1999041007-A2 METHOD AND APPARATUS FOR CHEMICAL AND BIOCHEMICAL REACTIONS USING PHOTO-GENERATED REAGENTS UNIVERSITY OF HOUSTON (US) 1999-08-19 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-20130123486-A1 Photogenerated reagents PPOX, PGR, GRHPR NPC1 4639/4885RAB9A 4064/4885ALDH1A1 1813/4885
US-20100137600-A1 Photogenerated reagents PPOX, PGR, GRHPR NPC1 4639/4885RAB9A 4064/4885ALDH1A1 1813/4885

“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.