SCHEMBL891719

SCHEMBL891719

C=CC(=O)OCC(C)(C)[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
TP53 P04637 3/20 0.48
HIF1A Q16665 3/20 0.48
CYP3A4 P08684 2/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TSHR P16473 7/20 0.41
THRB P10828 2/20 0.41
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.33
ACHE P22303 1/20 0.32

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
SCHEMBL2033070 0.85 ALDH1A1 (0.48) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL8849031 0.85 ALDH1A1 (0.48) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL9814477 0.82 TSHR (0.46) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL8849877 0.81 ALDH1A1 (0.52) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL6421553 0.81 ALDH1A1 (0.52) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL15798306 0.81 ALDH1A1 (0.53) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL9814484 0.81 THRB (0.45) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL9814467 0.80 TSHR (0.52) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL15799604 0.79 ALDH1A1 (0.50) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL9814483 0.79 THRB (0.46) ALDH1A1TP53HIF1ACYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3847220-B1 UV-CURABLE HOT MELT ADHESIVE COMPOSITIONS FOR FLOORING APPLICATIONS BASF SE (DE) 2025-03-05 EP claimed
EP-3204444-B1 PHOSPHATE ESTER-MODIFIED ACRYLIC POLYOLS BASF SE (DE) 2023-08-30 EP claimed
US-20210340408-A1 UV-CURABLE HOT MELT ADHESIVE COMPOSITIONS FOR FLOORING APPLICATIONS BASF SE (DE) 2021-11-04 US claimed
CN-110229253-B LED curable low mobility photoinitiators IGM集团公司 2021-11-02 CN claimed
US-20210222038-A1 HIGH MOLAR MASS POLYMERS FROM A CONTINUOUS PROCESS BASF SE (DE) 2021-07-22 US claimed
EP-3847220-A1 UV-CURABLE HOT MELT ADHESIVE COMPOSITIONS FOR FLOORING APPLICATIONS BASF SE (DE) 2021-07-14 EP claimed
EP-3798238-A1 LED-CURABLE LOW MIGRATION PHOTOINITIATORS IGM Group B.V. (NL) 2021-03-31 EP claimed
CN-112585230-A UV curable hot melt adhesive composition for floor application 巴斯夫欧洲公司 2021-03-30 CN claimed
EP-3788083-A1 HIGH MOLAR MASS POLYMERS FROM A CONTINUOUS PROCESS BASF SE (DE) 2021-03-10 EP claimed
CN-112469739-A High molecular weight polymers from continuous processes 巴斯夫欧洲公司 2021-03-09 CN claimed
WO-2016111923-A1 LED-CURABLE LOW MIGRATION PHOTOINITIATORS BASF SE (DE) 2016-07-14 WO claimed
WO-2016057639-A1 PHOSPHATE ESTER-MODIFIED ACRYLIC POLYOLS BASF SE (DE) 2016-04-14 WO claimed
US-20160046558-A1 SYNTHESIS OF (2-NITRO)ALKYL (METH)ACRYLATES VIA TRANSESTERIFICATION OF (METH)ACRYLATE ESTERS ADVANCION CORPORATION 2016-02-18 US claimed
US-20150322281-A1 NITROFUNCTIONAL ACRYLATE COPOLYMERS FOR BINDER COMPOSITIONS ADVANCION CORPORATION 2015-11-12 US claimed
EP-2931768-A1 NITROFUNCTIONAL ACRYLATE COPOLYMERS FOR BINDER COMPOSITIONS ANGUS Chemical Company (US) 2015-10-21 EP claimed
WO-2014158445-A1 SYNTHESIS OF (2-NITRO)ALKYL (METH)ACRYLATES VIA TRANSESTERIFICATION OF (METH)ACRYLATE ESTERS ROHM AND HAAS COMPANY (US) 2014-10-02 WO claimed
US-20140228477-A1 WATER-BASED POLYMER EMULSIONS FOR OPAQUE FILMS AND COATINGS APPLICATIONS ON FLEXIBLE SUBSTRATES BASF SE 2014-08-14 US claimed
EP-2751170-A1 WATER-BASED POLYMER EMULSIONS FOR OPAQUE FILMS AND COATINGS APPLICATIONS ON FLEXIBLE SUBSTRATES BASF SE (DE) 2014-07-09 EP claimed
WO-2014092914-A1 NITROFUNCTIONAL ACRYLATE COPOLYMERS FOR BINDER COMPOSITIONS ANGUS CHEMICAL COMPANY (US) 2014-06-19 WO claimed
WO-2013033188-A1 WATER-BASED POLYMER EMULSIONS FOR OPAQUE FILMS AND COATINGS APPLICATIONS ON FLEXIBLE SUBSTRATES BASF SE (DE) 2013-03-07 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20160046558-A1 SYNTHESIS OF (2-NITRO)ALKYL (METH)ACRYLATES VIA TRANSESTERIFICATION OF (METH)ACRYLATE ESTERS NAT1, NOS2, NOS1 ALDH1A1 43/4885TP53 3078/4885HIF1A 3077/4885

“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.