SCHEMBL9814484

SCHEMBL9814484

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

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.45
ALDH1A1 P00352 5/20 0.44
TP53 P04637 3/20 0.44
HIF1A Q16665 3/20 0.44
CYP3A4 P08684 2/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 7/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 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
SCHEMBL8849031 0.91 ALDH1A1 (0.48) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL9814468 0.87 TSHR (0.42) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL15798306 0.87 ALDH1A1 (0.53) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL9814482 0.84 TSHR (0.47) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL19259269 0.83 ALDH1A1 (0.41) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL15805828 0.81 THRB (0.46) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL9814483 0.81 THRB (0.46) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL2033070 0.81 ALDH1A1 (0.48) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL891719 0.81 ALDH1A1 (0.48) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL15798136 0.78 ALDH1A1 (0.50) THRBALDH1A1TP53HIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3121206-B1 NITROFUNCTIONAL ACRYLATE COPOLYMERS FOR BINDER COMPOSITIONS ANGUS CHEMICAL (US) 2020-06-10 EP claimed
EP-2931768-B1 NITROFUNCTIONAL ACRYLATE COPOLYMERS FOR BINDER COMPOSITIONS ANGUS CHEMICAL (US) 2017-08-16 EP claimed
US-9670134-B2 Synthesis of (2-nitro)alkyl (meth)acrylates via transesterification of (meth)acrylate esters ANGUS CHEMICAL COMPANY (US) 2017-06-06 US claimed
EP-3121206-A2 NITROFUNCTIONAL ACRYLATE COPOLYMERS FOR BINDER COMPOSITIONS ANGUS Chemical Company (US) 2017-01-25 EP 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
WO-2014092914-A1 NITROFUNCTIONAL ACRYLATE COPOLYMERS FOR BINDER COMPOSITIONS ANGUS CHEMICAL COMPANY (US) 2014-06-19 WO claimed
EP-3121206-B1 NITROFUNCTIONAL ACRYLATE COPOLYMERS FOR BINDER COMPOSITIONS ANGUS CHEMICAL (US) 2020-06-10 EP disclosed
EP-2931768-B1 NITROFUNCTIONAL ACRYLATE COPOLYMERS FOR BINDER COMPOSITIONS ANGUS CHEMICAL (US) 2017-08-16 EP disclosed
EP-2931768-B1 NITROFUNCTIONAL ACRYLATE COPOLYMERS FOR BINDER COMPOSITIONS ANGUS CHEMICAL (US) 2017-08-16 EP disclosed
US-9676957-B2 Nitrofunctional acrylate copolymers for binder compositions ANGUS CHEMICAL COMPANY (US) 2017-06-13 US disclosed
US-9676957-B2 Nitrofunctional acrylate copolymers for binder compositions ANGUS CHEMICAL COMPANY (US) 2017-06-13 US disclosed
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 disclosed
WO-2014092914-A1 NITROFUNCTIONAL ACRYLATE COPOLYMERS FOR BINDER COMPOSITIONS ANGUS CHEMICAL COMPANY (US) 2014-06-19 WO disclosed
WO-2014092914-A1 NITROFUNCTIONAL ACRYLATE COPOLYMERS FOR BINDER COMPOSITIONS ANGUS CHEMICAL COMPANY (US) 2014-06-19 WO disclosed
EP-0290883-B1 MODIFIED DIENE POLYMER RUBBERS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-09-18 EP disclosed
US-4885338-A REACTING ALKALI METAL-CONTAINING CONJUGATED DIENE POLYMER WITH NITROALKYL ACRYLATE OR NITROAMINO COMPOUND; TIRE TREADS, IMPACT RESILIENCE, REDUCED HARDNESS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-12-05 US disclosed
EP-0290883-A1 Modified diene polymer rubbers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-11-17 EP 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 (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 THRB 239/4885ALDH1A1 43/4885TP53 3078/4885

“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.