Acrylonitrile

Acrylonitrile

SCHEMBL22656767

C=CC#N.C=CC=CC(C=Cc1ccccc1)=C(C)C(=O)O

nearest known ligand 0.44

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 4/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
PLIN1 O60240 2/20 0.39
RECQL P46063 2/20 0.39
PLIN5 Q00G26 2/20 0.39
ABHD5 Q8WTS1 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
TNKS O95271 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39

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
SCHEMBL5161450 0.92 GLA (0.51) GLATDP1LMNAMAPTALDH1A1
Acrylonitrile SCHEMBL21221534 0.88 GLA (0.40) GLATDP1LMNAMAPTALDH1A1
Acrylonitrile SCHEMBL9249177 0.83 GLA (0.38) GLATDP1LMNAMAPTALDH1A1
SCHEMBL624043 0.82 GLA (0.41) GLATDP1LMNAMAPTALDH1A1
SCHEMBL4250758 0.81 TDP1 (0.64) GLATDP1LMNAMAPTALDH1A1
SCHEMBL1690910 0.80 GLA (0.45) GLATDP1LMNAMAPTALDH1A1
SCHEMBL353086 0.79 GLA (0.42) GLATDP1LMNAMAPTALDH1A1
SCHEMBL4878883 0.79 TDP1 (0.41) GLATDP1LMNAMAPTALDH1A1
SCHEMBL11126989 0.79 GLA (0.41) GLATDP1LMNAMAPTALDH1A1
SCHEMBL4557885 0.78 GLA (0.46) GLATDP1LMNAMAPTALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117500876-A High clarity and ductile molding compositions comprising SMMA copolymer and SBC-block copolymer 英力士苯领集团股份公司 2024-02-02 CN disclosed
CN-111556864-B Compounds with stabilizing effect, preparation method and use thereof, compositions containing same and method for stabilizing organic components 弗劳恩霍弗应用研究促进协会 2022-07-08 CN disclosed
CN-114423840-A 2K PU dual-cure adhesive for lamination 依视路国际公司 2022-04-29 CN disclosed
US-20200361879-A1 COMPOUNDS HAVING A STABILIZING EFFECT, METHOD FOR PRODUCING SAID COMPOUNDS, COMPOSITION CONTAINING SAID STABILIZING COMPOUNDS, METHOD FOR STABILIZING AN ORGANIC COMPONENT, AND USE OF STABILIZING COMPOUNDS Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e. V. (DE) 2020-11-19 US disclosed
CN-111556864-A Compound with stabilizing effect, preparation method of compound, composition containing stabilizing compound, method for stabilizing organic component and application of stabilizing compound 弗劳恩霍弗应用研究促进协会 2020-08-18 CN 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-20200361879-A1 COMPOUNDS HAVING A STABILIZING EFFECT, METHOD FOR PRODUCING SAID COMPOUNDS, COMPOSITION CONTAINING SAID STABILIZING COMPOUNDS, METHOD FOR STABILIZING AN ORGANIC COMPONENT, AND USE OF STABILIZING COMPOUNDS OGG1, SOD1, AOX1 GLA 86/4885TDP1 962/4885LMNA 367/4885

“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.