SCHEMBL9859616

SCHEMBL9859616

CCC/C=C/C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.39
▸ TAS1R3 Q7RTX0 1/20 0.39
▸ TAS1R1 Q7RTX1 1/20 0.39
▸ PPARG P37231 3/20 0.37
▸ HCAR2 Q8TDS4 4/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.34
▸ PPARA Q07869 2/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA14 Q9ULX7 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
SCHEMBL9859623 1.00 MAPT (0.39) MAPTTAS1R3TAS1R1PPARGHCAR2
SCHEMBL4939527 0.93 MAPT (0.42) MAPTPPARGPPARAATM
SCHEMBL4582615 0.93 MAPT (0.42) MAPTPPARGPPARAATM
SCHEMBL4938624 0.93 MAPT (0.46) MAPTPPARGALDH1A1PPARAATM
SCHEMBL4582243 0.93 MAPT (0.46) MAPTPPARGALDH1A1PPARAATM
SCHEMBL4583192 0.91 FAAH (0.44) MAPTPPARGPPARAATM
SCHEMBL4939335 0.91 FAAH (0.44) MAPTPPARGPPARAATM
SCHEMBL1883791 0.88 MAPT (0.44) MAPTPPARGALDH1A1PPARAATM
SCHEMBL10310662 0.88 MAPT (0.44) MAPTPPARGALDH1A1PPARAATM
SCHEMBL10378199 0.88 MAPT (0.44) MAPTPPARGALDH1A1PPARAATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117945887-A Preparation method of milbelin intermediate (2E) -4-ethylheptyl-2, 6-dienoic acid 山东新时代药业有限公司 2024-04-30 — — CN disclosed
US-9656986-B2 Compositions comprising TPGS-750-M MYCELL TECHNOLOGIES, LLC (US) 2017-05-23 — — US disclosed
US-9656985-B2 Surfactant-enabled transition metal-catalyzed chemistry MYCELL TECHNOLOGIES, LLC (US) 2017-05-23 — — US disclosed
US-20170073322-A1 Surfactant-Enabled Transition Metal-Catalyzed Chemistry MYCELL TECHNOLOGIES, LLC (US) 2017-03-16 — — US disclosed
US-20160347677-A1 Surfactant-Enabled Transition Metal-Catalyzed Chemistry MYCELL TECH LLC (US) 2016-12-01 — — US disclosed
US-20160340332-A1 Compositions Comprising TPGS-750-M MYCELL TECH LLC (US) 2016-11-24 — — US disclosed
US-8785665-B2 Surfactant-enabled transition metal-catalyzed chemistry MYCELL TECHNOLOGIES, LLC (US) 2014-07-22 — — US disclosed
US-20110130562-A1 Surfactant-Enabled Transition Metal-Catalyzed Chemistry MyCell Holdings Limited 2011-06-02 — — US disclosed
EP-0425831-A2 Contact lens NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1991-05-08 — — 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 (4 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-20160340332-A1 Compositions Comprising TPGS-750-M S100A10, S100A6, TPR MAPT 1142/4885TAS1R3 1544/4885TAS1R1 1196/4885
US-20170073322-A1 Surfactant-Enabled Transition Metal-Catalyzed Chemistry SOD1, SMURF1, MUC1 MAPT 1553/4885TAS1R3 1554/4885TAS1R1 1584/4885
US-20110130562-A1 Surfactant-Enabled Transition Metal-Catalyzed Chemistry SOD1, SMURF1, MUC1 MAPT 1553/4885TAS1R3 1554/4885TAS1R1 1584/4885
US-20160347677-A1 Surfactant-Enabled Transition Metal-Catalyzed Chemistry SOD1, SMURF1, MUC1 MAPT 1553/4885TAS1R3 1554/4885TAS1R1 1584/4885

“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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