SCHEMBL12410085

SCHEMBL12410085

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.38
▸ CHRNB2 P17787 7/20 0.38
▸ CHRNA4 P43681 7/20 0.38
▸ CHRNB4 P30926 5/20 0.34
▸ CHRNA3 P32297 5/20 0.34
▸ TDP1 Q9NUW8 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ PKM P14618 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ MAPK1 P28482 2/20 0.31
▸ SLC22A1 O15245 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL21228846 1.00 CYP19A1 (0.38) CYP19A1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL12410117 0.86 CYP19A1 (0.37) CYP19A1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL27878050 0.83 CYP19A1 (0.41) CYP19A1TDP1CA1CA2CA12
SCHEMBL28297151 0.80 CYP19A1 (0.40) CYP19A1TDP1CA1CA2CA12
SCHEMBL27555132 0.77 GAA (0.38) CYP19A1TDP1CA1CA2CA12
SCHEMBL12473296 0.76 CHRNB2 (0.40) CYP19A1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL17468967 0.75 CYP19A1 (0.44) CYP19A1TDP1CA1CA2CA12
SCHEMBL12410084 0.75 CHRNB2 (0.39) CYP19A1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7218815 0.74 CA2 (0.45) CYP19A1CHRNB2CHRNA4TDP1CA1
SCHEMBL901332 0.74 CYP19A1 (0.49) CYP19A1TDP1CA1CA2CA12

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 11 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
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 CYP19A1 347/4885CHRNB2 2883/4885CHRNA4 4509/4885
US-20140221211-A1 USE OF ESTERAMIDES AS SOLVENTS, NOVEL ESTERAMIDES AND PROCESS FOR PREPARING ESTERAMIDES NOTUM, FADS2, CERS2 CYP19A1 240/4885CHRNB2 3773/4885CHRNA4 3978/4885

“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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