SCHEMBL818755

SCHEMBL818755

CC(C)COC(=O)C#CC(=O)OCC(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.48
ALDH1A1 P00352 5/20 0.43
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
TDP1 Q9NUW8 4/20 0.34
RAB9A P51151 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
P2RX4 Q99571 1/20 0.34
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
NFKB1 P19838 1/20 0.33
PTGS1 P23219 1/20 0.33
APEX1 P27695 1/20 0.33
THPO P40225 1/20 0.33
PMP22 Q01453 1/20 0.33

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
SCHEMBL2946396 0.91 TSHR (0.42) TSHRALDH1A1MAPTKDM4EMAPK1
SCHEMBL16885806 0.90 TSHR (0.45) TSHRALDH1A1MAPTKDM4EMAPK1
SCHEMBL16437025 0.89 TSHR (0.41) TSHRALDH1A1MAPTKDM4EMAPK1
SCHEMBL31675156 0.88 TSHR (0.43) TSHRALDH1A1MAPTKDM4EMAPK1
SCHEMBL1980061 0.80
SCHEMBL7523546 0.80
SCHEMBL10386868 0.78 CHRNB2 (0.37) TSHRALDH1A1
Acetic Acid Isobutyl Ester SCHEMBL27290582 0.76
SCHEMBL12502197 0.75 CA1 (0.50) ALDH1A1KDM4EMAPK1HSD17B10TDP1
SCHEMBL25435787 0.75 TSHR (0.54) TSHRALDH1A1MAPTKDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119591754-A Ziegler-Natta catalyst and application thereof 山东京博聚烯烃新材料有限公司 2025-03-11 CN disclosed
CN-119176891-A Ziegler-Natta catalyst for olefin polymerization and preparation method thereof 中国科学院大连化学物理研究所 2024-12-24 CN disclosed
US-10618718-B2 Oxygen scavengers APG Polytech, LLC (US) 2020-04-14 US disclosed
US-20190233195-A1 OXYGEN SCAVENGERS APG Polytech, LLC (US) 2019-08-01 US disclosed
EP-2748084-B1 ARTICLES CONTAINING OXYGEN-SCAVENGING MATERIALS APG POLYTECH LLC (US) 2019-06-12 EP disclosed
US-10207853-B2 Oxygen scavengers APG Polytech, LLC (US) 2019-02-19 US disclosed
US-20140220281-A1 OXYGEN SCAVENGERS M&G USA CORPORATION (US) 2014-08-07 US disclosed
EP-2748084-A1 OXYGEN SCAVENGERS M&G USA Corporation (US) 2014-07-02 EP disclosed
WO-2013028289-A1 OXYGEN SCAVENGERS Amyris, Inc. (US) 2013-02-28 WO disclosed
WO-2013028290-A1 OXYGEN SCAVENGERS Amyris, Inc. (US) 2013-02-28 WO disclosed
WO-2012158250-A1 PLASTICIZERS Amyris, Inc. (US) 2012-11-22 WO disclosed
US-8236908-B2 Components and catalysts for the polymerization of olefins SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-07 US disclosed
WO-2012103156-A1 SURFACTANTS Amyris, Inc. (US) 2012-08-02 WO disclosed
CN-102234341-A Components and catalysts for the polymerization of olefins SUMITOMO CHEMICAL CO 2011-11-09 CN disclosed
US-20110269927-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-03 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-10207853-B2 Oxygen scavengers LPO, GPX4, GPX1 TSHR 4694/4885ALDH1A1 404/4885MAPT 3882/4885
US-20190233195-A1 OXYGEN SCAVENGERS LPO, GPX4, GPX1 TSHR 4694/4885ALDH1A1 404/4885MAPT 3882/4885
US-10618718-B2 Oxygen scavengers LPO, GPX4, GPX1 TSHR 4694/4885ALDH1A1 404/4885MAPT 3882/4885

“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.