SCHEMBL12410098

SCHEMBL12410098

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.45
CYP2C19 P33261 1/20 0.43
EPHX1 P07099 2/20 0.41
HTT P42858 2/20 0.41
CYP19A1 P11511 3/20 0.36
ATM Q13315 1/20 0.34
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CACNA1B Q00975 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
BCHE P06276 1/20 0.32
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 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
SCHEMBL12410127 0.87 NAAA (0.44) NAAACYP2C19EPHX1HTTCYP19A1
SCHEMBL17675498 0.83 NAAA (0.49) NAAACYP2C19EPHX1HTTCYP19A1
SCHEMBL11038301 0.83 NAAA (0.49) NAAACYP2C19EPHX1HTTCYP19A1
SCHEMBL17675456 0.83 NAAA (0.49) NAAACYP2C19EPHX1HTTCYP19A1
SCHEMBL17675598 0.81 NAAA (0.47) NAAACYP2C19EPHX1HTTCYP19A1
SCHEMBL27889862 0.78 CYP2C19 (0.43) NAAACYP2C19EPHX1HTTCYP19A1
SCHEMBL27889852 0.77 NAAA (0.41) NAAACYP2C19EPHX1HTTCYP19A1
SCHEMBL12410096 0.76 EPHX1 (0.41) NAAACYP2C19EPHX1HTTCYP19A1
SCHEMBL28806178 0.76 NAAA (0.51) NAAACYP2C19EPHX1HTTCYP19A1
SCHEMBL27633632 0.76 NAAA (0.51) NAAACYP2C19EPHX1HTTCYP19A1

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 108/4885CYP2C19 1330/4885EPHX1 454/4885
US-20140221211-A1 USE OF ESTERAMIDES AS SOLVENTS, NOVEL ESTERAMIDES AND PROCESS FOR PREPARING ESTERAMIDES NOTUM, FADS2, CERS2 NAAA 5/4885CYP2C19 1585/4885EPHX1 100/4885

“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.