SCHEMBL12410073

SCHEMBL12410073

COC(=O)CCC(C)C(=O)N(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
SLC1A1 P43005 1/20 0.40
CA12 O43570 2/20 0.36
CA14 Q9ULX7 2/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.34
HSD17B10 Q99714 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
CHRNB2 P17787 2/20 0.33
CHRNB4 P30926 2/20 0.33
CHRNA4 P43681 2/20 0.33
MGAM O43451 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
SCHEMBL25894820 0.81 TSHR (0.43) TSHRKMT2AMEN1SLC1A1CA12
SCHEMBL1815697 0.78 SLC1A1 (0.50) TSHRKMT2AMEN1SLC1A1CA12
SCHEMBL12410082 0.78 CHRNB2 (0.40) KMT2ACA12CA9L3MBTL1KDM4E
SCHEMBL28237113 0.77 TSHR (0.43) TSHRKMT2AMEN1SLC1A1CA12
SCHEMBL11062326 0.77 TSHR (0.52) TSHRKMT2AMEN1SLC1A1CA12
SCHEMBL1835138 0.77 CYP1A2 (0.60) TSHRKMT2AMEN1SLC1A1CA12
SCHEMBL265551 0.77 TSHR (0.52) TSHRKMT2AMEN1SLC1A1CA12
SCHEMBL12951358 0.77 TSHR (0.52) TSHRKMT2AMEN1SLC1A1CA12
SCHEMBL1835136 0.77 CYP1A2 (0.60) TSHRKMT2AMEN1SLC1A1CA12
SCHEMBL16300949 0.77 TSHR (0.52) TSHRKMT2AMEN1SLC1A1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10428230-B2 Synergistic mixed solvents-based compositions with improved efficiency of performance and environmental safety for removal of paint, varnish and stain NARAYANAN KOLAZI S (US) 2019-10-01 US claimed
WO-2023194626-A1 HERBICIDE COMPOSITION FOR THE CONTROL OF UNWANTED VEGETATION BELCHIM CROP PROTECTION NV (BE) 2023-10-12 WO disclosed
EP-2252144-B1 USE OF ESTER AMIDES AS SOLVENTS, ESTER AMIDES AS SUCH, AND METHOD FOR PREPARING ESTER AMIDES RHODIA OPERATIONS (FR) 2023-08-02 EP disclosed
EP-3712135-B1 AZOLE DERIVATIVE, INTERMEDIATE COMPOUND, METHOD FOR PRODUCING AZOLE DERIVATIVE, AGENT FOR AGRICULTURAL AND HORTICULTURAL USE, AND MATERIAL PROTECTION AGENT FOR INDUSTRIAL USE KUREHA CORP (JP) 2023-05-03 EP disclosed
US-20220225613-A1 SYNERGISTICALLY EFFECTIVE FUNGICIDE COMPOSITION COMPRISING CHOLINE PHOSPHONATE AND AT LEAST ONE ADDITIONAL FUNGICIDE BELCHIM CROP PROTECTION NV (BE) 2022-07-21 US disclosed
EP-3982726-A1 SYNERGISTICALLY EFFECTIVE FUNGICIDE COMPOSITION COMPRISING CHOLINE PHOSPHONATE AND AT LEAST ONE ADDITIONAL FUNGICIDE Belchim Crop Protection NV (BE) 2022-04-20 EP disclosed
US-20210219553-A1 SYNERGISTICALLY EFFECTIVE HERBICIDE COMPOSITION COMPRISING PYRIDATE AND AT LEAST ONE DEFINED 4-HPPD INHIBITOR BELCHIM CROP PROT NV (BE) 2021-07-22 US disclosed
EP-3829308-A1 SYNERGISTICALLY EFFECTIVE HERBICIDE COMPOSITION COMPRISING PYRIDATE AND AT LEAST ONE DEFINED 4-HPPD INHIBITOR Belchim Crop Protection NV (BE) 2021-06-09 EP disclosed
EP-3817554-A1 SYNERGISTICALLY EFFECTIVE HERBICIDE COMPOSITION COMPRISING METOBROMURON AND CLOMAZONE Belchim Crop Protection NV (BE) 2021-05-12 EP disclosed
CN-111032631-B Azole derivative, intermediate compound, process for producing azole derivative, agricultural and horticultural chemical, and industrial material protective agent 株式会社吴羽 2021-05-07 CN disclosed
US-9392785-B2 Use of esteramides as solvents, novel esteramides and process for preparing esteramides RHODIA OPERATIONS (FR) 2016-07-19 US disclosed
US-9392785-B2 Use of esteramides as solvents, novel esteramides and process for preparing esteramides RHODIA OPERATIONS (FR) 2016-07-19 US disclosed
US-20140221211-A1 USE OF ESTERAMIDES AS SOLVENTS, NOVEL ESTERAMIDES AND PROCESS FOR PREPARING ESTERAMIDES RHODIA OPERATIONS (FR) 2014-08-07 US disclosed
US-20140221211-A1 USE OF ESTERAMIDES AS SOLVENTS, NOVEL ESTERAMIDES AND PROCESS FOR PREPARING ESTERAMIDES RHODIA OPERATIONS (FR) 2014-08-07 US disclosed
US-8735324-B2 Esteramide solvents/coalescing agents in phytosanitary, cleaning, degreasing, stripping, lubricating, coating, and pigment/ink compositions RHODIA OPERATIONS (FR) 2014-05-27 US disclosed
US-8735324-B2 Esteramide solvents/coalescing agents in phytosanitary, cleaning, degreasing, stripping, lubricating, coating, and pigment/ink compositions RHODIA OPERATIONS (FR) 2014-05-27 US disclosed
EP-2347652-A1 Esteramides, their preparation and their use Rhodia Opérations (FR) 2011-07-27 EP disclosed
US-20110166025-A1 ESTERAMIDE SOLVENTS/COALESCING AGENTS IN PHYTOSANITARY, CLEANING, DEGREASING, STRIPPING, LUBRICATING, COATING, AND PIGMENT/INK COMPOSITIONS RHODIA OPERATIONS (FR) 2011-07-07 US disclosed
US-20110166025-A1 ESTERAMIDE SOLVENTS/COALESCING AGENTS IN PHYTOSANITARY, CLEANING, DEGREASING, STRIPPING, LUBRICATING, COATING, AND PIGMENT/INK COMPOSITIONS RHODIA OPERATIONS (FR) 2011-07-07 US disclosed
WO-2009092795-A1 USE OF ESTER AMIDES AS SOLVENTS, ESTER AMIDES AS SUCH, AND METHOD FOR PREPARING ESTER AMIDES RHODIA OPERATIONS (FR) 2009-07-30 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 (2 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-20110166025-A1 ESTERAMIDE SOLVENTS/COALESCING AGENTS IN PHYTOSANITARY, CLEANING, DEGREASING, STRIPPING, LUBRICATING, COATING, AND PIGMENT/INK COMPOSITIONS ACHE, ITCH, SORT1 TSHR 3958/4885KMT2A 416/4885MEN1 626/4885
US-20140221211-A1 USE OF ESTERAMIDES AS SOLVENTS, NOVEL ESTERAMIDES AND PROCESS FOR PREPARING ESTERAMIDES NOTUM, FADS2, CERS2 TSHR 4718/4885KMT2A 720/4885MEN1 1744/4885

“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.