SCHEMBL522693

SCHEMBL522693

COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.62
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
TYR P14679 1/20 0.62
CA7 P43166 1/20 0.62
CA9 Q16790 1/20 0.62
CA14 Q9ULX7 1/20 0.62
MAOB P27338 4/20 0.61
MAOA P21397 3/20 0.61
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
PTGS2 P35354 3/20 0.57
KRAS P01116 1/20 0.57
BCHE P06276 1/20 0.56
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
APEX1 P27695 1/20 0.55
MAPT P10636 3/20 0.54
ALDH1A1 P00352 1/20 0.54

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
SCHEMBL1231449 1.00 CA12 (0.62) CA12CA1CA2TYRCA7
SCHEMBL7240019 0.95 MAOB (0.57) CA12CA1CA2TYRCA7
Alcohol SCHEMBL6171481 0.94 KMT2A (0.56) CA12CA1CA2TYRCA7
SCHEMBL29082929 0.93 MAOB (0.61) CA12CA1CA2TYRCA7
SCHEMBL10543256 0.88 MAOB (0.56) MAOBMAOAKMT2AMEN1PTGS2
SCHEMBL5057418 0.84 CA12 (0.84) CA12CA1CA2TYRCA7
SCHEMBL71224 0.84 CA12 (0.84) CA12CA1CA2TYRCA7
SCHEMBL6841705 0.83 MAPT (0.49) CA12CA1CA2TYRCA7
SCHEMBL9523424 0.83 MAOB (0.61) MAOBMAOAKMT2AMEN1PTGS2
SCHEMBL15367534 0.83 MAOB (0.61) MAOBMAOAKMT2AMEN1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3208301-B1 RESIN COMPOSITION AND OPTICAL COMPENSATION FILM USING SAME TOSOH CORP (JP) 2019-04-03 EP claimed
US-10126478-B2 Resin composition and optical compensation film using same TOSOH CORPORATION (JP) 2018-11-13 US claimed
US-20170242174-A1 RESIN COMPOSITION AND OPTICAL COMPENSATION FILM USING SAME TOSOH CORPORATION (JP) 2017-08-24 US claimed
EP-3208301-A1 RESIN COMPOSITION AND OPTICAL COMPENSATION FILM USING SAME Tosoh Corporation (JP) 2017-08-23 EP claimed
US-20150274633-A2 PAIN RELIEF COMPOUNDS UNIVERSITÉ CLERMONT AUVERGNE (FR) 2015-10-01 US claimed
US-20150038466-A1 PAIN RELIEF COMPOUNDS ECOLE NATIONALE SUPERIEURE DE CHIMIE DE CLERMONT FERRAND (FR) 2015-02-05 US claimed
CN-101774918-A Preparation method of cinnamate derivates UNIV HUAQIAO 2010-07-14 CN claimed
CN-110694652-A Method for generating ester compound by catalytic oxidation of ether compound with visible light excited silver iodide and bismuth vanadate composite material 潍坊医学院 2020-01-17 CN disclosed
CN-106795327-B Resin composition and optical compensation film using the same 东曹株式会社 2019-08-30 CN disclosed
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2019-05-23 US disclosed
EP-3208301-B1 RESIN COMPOSITION AND OPTICAL COMPENSATION FILM USING SAME TOSOH CORP (JP) 2019-04-03 EP disclosed
US-10126478-B2 Resin composition and optical compensation film using same TOSOH CORPORATION (JP) 2018-11-13 US disclosed
EP-3246309-A1 METHOD FOR TREATING TIN COMPOUND IN REACTION MIXTURE Nissan Chemical Industries, Ltd. (JP) 2017-11-22 EP disclosed
US-5767304-A USING OSMIUM CATALYST AND CHIRAL LIGAND THE SCRIPPS RESEARCH INSTITUTE (US) 1998-06-16 US disclosed
WO-1997046516-A1 CATALYTIC ASYMMETRIC AMINOHYDROXYLATION OF OLEFINS WITH CARBAMATES THE SCRIPPS RESEARCH INSTITUTE (US) 1997-12-11 WO disclosed
US-4987132-A PLATELET ACTIVATING FACTOR ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-01-22 US disclosed
CN-1030415-A Saturated heterocycle carboxamide derivatives and its preparation method YAMANOUCHI PHARMA CO LTD (JP) 1989-01-18 CN disclosed
EP-0279681-A2 Saturated heterocyclic carboxamide derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-08-24 EP disclosed
US-4051177-A PROCESS FOR THE PREPARATION OF UNSATURATED AMINO COMPOUNDS BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 US disclosed
US-4002673-A GROUP VIII METAL SULFIDE AS HYDROGENATION CATALYST BAYER AKTIENGESELLSCHAFT (DT) 1977-01-11 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 (3 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-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES HPSE, GAA, MAN2B1 CA12 2097/4885CA1 2896/4885CA2 2540/4885
US-20150038466-A1 PAIN RELIEF COMPOUNDS OPRL1, OPRK1, TRPV1 CA12 1462/4885CA1 324/4885CA2 332/4885
US-20150274633-A2 PAIN RELIEF COMPOUNDS OPRL1, OPRK1, TRPV1 CA12 1462/4885CA1 324/4885CA2 332/4885

“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.