SCHEMBL12410092

SCHEMBL12410092

CC(CCC(=O)OC1CCCCC1)C(=O)N(C)C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.42
HTT P42858 1/20 0.41
CYP2C19 P33261 1/20 0.40
EPHX1 P07099 2/20 0.38
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
CYP19A1 P11511 3/20 0.36
TP53 P04637 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSK P43235 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL12410124 0.85 NAAA (0.50) NAAASMN1; SMN2HTTCYP2C19EPHX1
SCHEMBL17675405 0.83 NAAA (0.53) NAAASMN1; SMN2HTTCYP2C19EPHX1
SCHEMBL12410103 0.83 NAAA (0.53) NAAASMN1; SMN2HTTCYP2C19EPHX1
SCHEMBL17675658 0.81 NAAA (0.51) NAAASMN1; SMN2HTTCYP2C19EPHX1
SCHEMBL585907 0.80 NAAA (0.57) NAAASMN1; SMN2HTTCYP2C19EPHX1
SCHEMBL13667127 0.79 NAAA (0.56) NAAASMN1; SMN2HTTCYP2C19EPHX1
SCHEMBL21811741 0.78 NAAA (0.54) NAAASMN1; SMN2HTTCYP2C19EPHX1
SCHEMBL12410090 0.76 CYP19A1 (0.40) NAAASMN1; SMN2HTTCYP2C19EPHX1
SCHEMBL14759131 0.74 EPHX1 (0.35) NAAAEPHX1ALDH1A1KDM4ECTSL
SCHEMBL7568980 0.74 NAAA (0.66) NAAASMN1; SMN2HTTCYP2C19EPHX1

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
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

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 NAAA 108/4885SMN1; SMN2 2267/4885HTT 245/4885
US-20140221211-A1 USE OF ESTERAMIDES AS SOLVENTS, NOVEL ESTERAMIDES AND PROCESS FOR PREPARING ESTERAMIDES NOTUM, FADS2, CERS2 NAAA 5/4885SMN1; SMN2 2759/4885HTT 3368/4885

“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.