SCHEMBL12410076

SCHEMBL12410076

CC(CCC(=O)O)C(=O)N(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.60
GABRP O00591 2/20 0.48
GABRD O14764 2/20 0.48
GABRA1 P14867 2/20 0.48
GABRB1 P18505 2/20 0.48
GABRG2 P18507 2/20 0.48
GABRB3 P28472 2/20 0.48
GABRA5 P31644 2/20 0.48
GABRA3 P34903 2/20 0.48
GABRA2 P47869 2/20 0.48
GABRB2 P47870 2/20 0.48
GABRA4 P48169 2/20 0.48
GABRE P78334 2/20 0.48
GABRA6 Q16445 2/20 0.48
GABRG1 Q8N1C3 2/20 0.48
GABRG3 Q99928 2/20 0.48
GABRQ Q9UN88 2/20 0.48
DPP4 P27487 2/20 0.42
DPP9 Q86TI2 2/20 0.42
TET2 Q6N021 3/20 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
SCHEMBL15314151 1.00 CYP1A2 (0.60) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL3311238 0.82 CHRNB2 (0.50) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL25894623 0.81 CYP1A2 (0.54) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL4955330 0.80 DPP4 (0.41) CYP1A2GABRPGABRDGABRA1GABRB1
Trimethylammonium SCHEMBL27795883 0.79 CYP1A2 (0.86) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL23055054 0.78 CA1 (0.43) CYP1A2CHRNB2CHRNB4CHRNA4
SCHEMBL12410073 0.77 TSHR (0.46) CYP1A2SLC1A1CHRNB2CHRNB4CHRNA4
SCHEMBL5266422 0.76 BLM (0.40) CYP1A2SLC1A3SLC1A2SLC1A1CHRNB2
SCHEMBL23157159 0.76 SLC22A6 (0.38) CYP1A2ACEREN
SCHEMBL13450173 0.76 SLC22A6 (0.38) CYP1A2ACEREN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2019177174-A1 AGRICULTURAL/HORTICULTURAL AGENT, DILUENT, AGRICULTURAL CROP PROTECTION AND PEST CONTROL METHOD, AND AGRICULTURAL CROP PROTECTION AND PEST CONTROL PRODUCT 株式会社クレハ 2019-09-19 WO disclosed
EP-3520613-A1 USE OF ESTER AMIDES AS SOLVENTS, ESTER AMIDES AS SUCH, AND METHOD FOR PREPARING ESTER AMIDES Rhodia Operations (FR) 2019-08-07 EP 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 CYP1A2 696/4885GABRP 4704/4885GABRD 4753/4885
US-20140221211-A1 USE OF ESTERAMIDES AS SOLVENTS, NOVEL ESTERAMIDES AND PROCESS FOR PREPARING ESTERAMIDES NOTUM, FADS2, CERS2 CYP1A2 298/4885GABRP 3160/4885GABRD 4335/4885

“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.