Ethyl Acetate

Ethyl Acetate

SCHEMBL19586419

CCOC(C)=O.O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1OP(=O)(O)O

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS4 Q9NRS4 9/20 0.54
▸ P2RX1 P51575 9/20 0.54
▸ P2RX7 Q99572 7/20 0.54
▸ P2RX4 Q99571 6/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ IKBKB O14920 1/20 0.54
▸ CHUK O15111 1/20 0.54
▸ KDR P35968 1/20 0.54
▸ FLT3 P36888 1/20 0.54
▸ MYLK Q15746 1/20 0.54
▸ MAP4K5 Q9Y4K4 1/20 0.54
▸ TLR8 Q9NR97 1/20 0.48
▸ CYP1A2 P05177 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ NFKB1 P19838 3/20 0.44
▸ SCN8A Q9UQD0 1/20 0.44

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
Acetic Acid SCHEMBL28870449 0.90 TMPRSS4 (0.60) TMPRSS4P2RX1P2RX7P2RX4MEN1
SCHEMBL6102085 0.90 P2RX1 (0.65) TMPRSS4P2RX1P2RX7P2RX4MEN1
SCHEMBL28359923 0.89 P2RX1 (0.64) TMPRSS4P2RX1P2RX7P2RX4MEN1
SCHEMBL16707255 0.87 TMPRSS4 (0.59) TMPRSS4P2RX1P2RX7P2RX4MEN1
SCHEMBL18073615 0.87 TMPRSS4 (0.56) TMPRSS4P2RX1P2RX7P2RX4MEN1
Monoethanolamine SCHEMBL28105530 0.85 P2RX1 (0.57) TMPRSS4P2RX1P2RX7P2RX4MEN1
Monoethanolamine SCHEMBL28356005 0.85 P2RX1 (0.57) TMPRSS4P2RX1P2RX7P2RX4MEN1
Diethanolamine SCHEMBL29511640 0.84 P2RX1 (0.56) TMPRSS4P2RX1P2RX7P2RX4MEN1
Dioxane SCHEMBL19586573 0.84 P2RX1 (0.58) TMPRSS4P2RX1P2RX7P2RX4MEN1
Trolamine SCHEMBL29511687 0.83 P2RX1 (0.55) TMPRSS4P2RX1P2RX7P2RX4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250206765-A1 CRYSTALS AEROMICS, INC. (US) 2025-06-26 — — US disclosed
US-12091431-B2 Crystals AEROMICS, INC. (US) 2024-09-17 — — US disclosed
US-20240166673-A1 CRYSTALS AEROMICS, INC. (US) 2024-05-23 — — US disclosed
US-11725018-B2 Crystals AEROMICS, INC. (US) 2023-08-15 — — US disclosed
CN-115093443-A Crystal 埃罗米克斯公司 2022-09-23 — — CN disclosed
US-20220204536-A1 CRYSTALS AEROMICS, INC. (US) 2022-06-30 — — US disclosed
US-11117909-B2 Crystals AEROMICS, INC. (US) 2021-09-14 — — US disclosed
US-20190185496-A1 CRYSTALS AEROMICS, INC. (US) 2019-06-20 — — US disclosed
EP-3454846-A1 CRYSTALS Aeromics, Inc. (US) 2019-03-20 — — EP disclosed
WO-2017197371-A1 CRYSTALS AEROMICS, INC. (US) 2017-11-16 — — 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 (7 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-20220204536-A1 CRYSTALS MTAP, PLCG2, PLCG1 TMPRSS4 2690/4885P2RX1 2559/4885P2RX7 2777/4885
US-20190185496-A1 CRYSTALS MTAP, PLCG2, PLCG1 TMPRSS4 2690/4885P2RX1 2559/4885P2RX7 2777/4885
US-20250206765-A1 CRYSTALS MTAP, PLCG2, PLCG1 TMPRSS4 2690/4885P2RX1 2559/4885P2RX7 2777/4885
US-11725018-B2 Crystals MTAP, PLCG2, PLCG1 TMPRSS4 2690/4885P2RX1 2559/4885P2RX7 2777/4885
US-20240166673-A1 CRYSTALS MTAP, PLCG2, PLCG1 TMPRSS4 2690/4885P2RX1 2559/4885P2RX7 2777/4885
US-11117909-B2 Crystals MTAP, PLCG2, PLCG1 TMPRSS4 2690/4885P2RX1 2559/4885P2RX7 2777/4885
US-12091431-B2 Crystals MTAP, PLCG2, PLCG1 TMPRSS4 2690/4885P2RX1 2559/4885P2RX7 2777/4885

“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.

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