SCHEMBL3327700

SCHEMBL3327700

CC([O])c1ccccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.56
ALDH1A1 P00352 7/20 0.54
HSD17B10 Q99714 1/20 0.52
TSHR P16473 4/20 0.49
TDP1 Q9NUW8 4/20 0.48
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GPR35 Q9HC97 1/20 0.43
PTPRC P08575 1/20 0.43
S100A4 P26447 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 2/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41

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
SCHEMBL3979945 0.86 CYP1A2 (0.59) CYP1A2ALDH1A1HSD17B10TSHRTDP1
SCHEMBL29538594 0.86 CYP1A2 (0.59) CYP1A2ALDH1A1HSD17B10TSHRTDP1
SCHEMBL254406 0.85 ALDH1A1 (0.56) CYP1A2ALDH1A1HSD17B10TSHRTDP1
SCHEMBL30800630 0.85 ALDH1A1 (0.56) CYP1A2ALDH1A1HSD17B10TSHRTDP1
SCHEMBL16687493 0.85 ALDH1A1 (0.56) CYP1A2ALDH1A1HSD17B10TSHRTDP1
SCHEMBL16284318 0.85 ALDH1A1 (0.56) CYP1A2ALDH1A1HSD17B10TSHRTDP1
SCHEMBL1666013 0.84 CYP1A2 (0.53) CYP1A2ALDH1A1HSD17B10TSHRTDP1
SCHEMBL4353073 0.83 CYP1A2 (0.59) CYP1A2ALDH1A1HSD17B10TSHRTDP1
SCHEMBL888030 0.82 ALDH1A1 (0.53) CYP1A2ALDH1A1HSD17B10TSHRTDP1
SCHEMBL1667854 0.82 CYP1A2 (0.54) CYP1A2ALDH1A1HSD17B10TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3081612-B1 PHOTOCURABLE COMPOSITION HAVING ADHESIVE PROPERTIES CEMEDINE CO LTD (JP) 2018-11-14 EP disclosed
US-9718999-B2 Photocurable composition having adhesive properties CEMEDINE CO., LTD (JP) 2017-08-01 US disclosed
US-20160312089-A1 PHOTOCURABLE COMPOSITION HAVING ADHESIVE PROPERTIES CEMEDINE CO., LTD. (JP) 2016-10-27 US disclosed
EP-3081612-A1 PHOTOCURABLE COMPOSITION HAVING ADHESIVE PROPERTIES Cemedine Co., Ltd. (JP) 2016-10-19 EP disclosed
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-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-20080009630-A1 Photogenerated reagents LC SCIENCES LC 2008-01-10 US disclosed
US-7235670-B2 Photogenerated reagents Gao, Xiaolian 2007-06-26 US disclosed
EP-0777498-B1 CONJUGATES MADE OF METAL COMPLEXES AND OLIGONUCLEOTIDES SCHERING AG (DE) 2004-04-28 EP disclosed
EP-0777485-B1 2',5' PHOSPHOROTHIOATE/PHOSPHODIESTER OLIGOADENYLATES AND ANTIVIRAL USES THEREOF UNIV TEMPLE (US) 2003-02-19 EP disclosed
US-20020077306-A1 CONJUGATES MADE OF METAL COMPLEXES AND OLIGONUCLEOTIDES, AGENTS CONTAINING THE CONJUGATES, THEIR USE IN RADIODIAGNOSIS AS WELL AS PROCESS FOR THEIR PRODUCTION BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2002-06-20 US disclosed
EP-1207909-A2 METHOD FOR COUPLING MOLECULES MEDICAL RESEARCH COUNCIL (GB) 2002-05-29 EP disclosed
WO-2001015737-A2 METHOD FOR COUPLING MOLECULES MEDICAL RESEARCH COUNCIL (GB) 2001-03-08 WO disclosed
US-5863905-A GREATLY ENHANCED METABOLIC STABILITY; NONHYDROLYZING; RESISTANCE TO SERUM PHOSPHODIESTERASES; NONTOXIC; INHIBIT OR ACTIVATE RIBONUCLEASE; AIDS, HTLV; HEPATITIS VIRUS; MS; PLANT VIRUSES, E.G. TOBACCO MOSAIC VIRUS; TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 1999-01-26 US disclosed
EP-0777498-A1 CONJUGATES MADE OF METAL COMPLEXES AND OLIGONUCLEOTIDES SCHERING AKTIENGESELLSCHAFT (DE) 1997-06-11 EP disclosed
EP-0770146-A1 CONJUGATES OF METAL COMPLEXES AND OLIGONUCLEOTIDES, WHICH SPECIFICALLY BOND TO SPECIFIC TARGET STRUCTURES, AGENTS CONTAINING THESE CONJUGATES, THEIR USE IN NMR DIAGNOSIS AS WELL AS PROCESS FOR THEIR PRODUCTION SCHERING AKTIENGESELLSCHAFT (DE) 1997-05-02 EP disclosed
WO-1996002274-A1 CONJUGATES MADE OF METAL COMPLEXES AND OLIGONUCLEOTIDES SCHERING AKTIENGESELLSCHAFT (DE) 1996-02-01 WO disclosed
WO-1996002669-A1 CONJUGATES OF METAL COMPLEXES AND OLIGONUCLEOTIDES, WHICH SPECIFICALLY BOND TO SPECIFIC TARGET STRUCTURES, AGENTS CONTAINING THESE CONJUGATES, THEIR USE IN NMR DIAGNOSIS AS WELL AS PROCESS FOR THEIR PRODUCTION SCHERING AKTIENGESELLSCHAFT (DE) 1996-02-01 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 (4 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 CYP1A2 221/4885ALDH1A1 1813/4885HSD17B10 1059/4885
US-20080009630-A1 Photogenerated reagents PPOX, PGR, GRHPR CYP1A2 221/4885ALDH1A1 1813/4885HSD17B10 1059/4885
US-20020077306-A1 CONJUGATES MADE OF METAL COMPLEXES AND OLIGONUCLEOTIDES, AGENTS CONTAINING THE CONJUGATES, THEIR USE IN RADIODIAGNOSIS AS WELL AS PROCESS FOR THEIR PRODUCTION DCLRE1B, RNASE1, DCLRE1A CYP1A2 4573/4885ALDH1A1 2735/4885HSD17B10 3614/4885
US-20100137600-A1 Photogenerated reagents PPOX, PGR, GRHPR CYP1A2 221/4885ALDH1A1 1813/4885HSD17B10 1059/4885

“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.