SCHEMBL4339170

SCHEMBL4339170

CCOC(=O)C(OC(C)C)P(=O)(OCC)OCC

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
POLB P06746 1/20 0.35
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
TSHR P16473 2/20 0.33
CYP2D6 P10635 1/20 0.33
ALOX15 P16050 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
THRB P10828 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PPARD Q03181 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
SCHEMBL9377677 0.90 CYP3A4 (0.39) GAACYP3A4CYP2C9CYP2C19POLB
SCHEMBL5892255 0.87 GAA (0.39) GAACYP3A4CYP2C9CYP2C19POLB
SCHEMBL27499087 0.84 CYP2D6 (0.35) GAACYP3A4CYP2C9CYP2C19POLB
SCHEMBL5550657 0.83 POLB (0.40) GAACYP3A4CYP2C9CYP2C19POLB
SCHEMBL331957 0.81 CYP3A4 (0.38) GAACYP3A4CYP2C9CYP2C19POLB
SCHEMBL420551 0.81 ALDH1A1 (0.38) GAACYP3A4CYP2C9CYP2C19POLB
SCHEMBL584805 0.78 ALDH1A1 (0.41) GAACYP3A4CYP2C9CYP2C19POLB
SCHEMBL10108 0.76 GAA (0.40) GAACYP3A4CYP2C9CYP2C19POLB
SCHEMBL13537614 0.76 CYP3A4 (0.36) GAACYP3A4CYP2C9CYP2C19POLB
SCHEMBL12631725 0.75 ALDH1A1 (0.34) GAACYP3A4CYP2C9CYP2C19POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-20040102634-A1 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-05-27 US disclosed
EP-1380562-A1 CARBOXYLIC ACID DERIVATIVE AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-14 EP disclosed
US-20030008361-A1 Process for the preparation of substituted 3-phenyl-propanoic acid esters and substituted 3-phenyl-propanoic acids EBDRUP SOREN (DK) 2003-01-09 US disclosed
CN-1375013-A Process for the preparation of substituted 3-phenyl-propanoic acid esters and substituted 3-phenyl-propanoic acids NOVO NORDISK AS (DK) 2002-10-16 CN disclosed
EP-1206565-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED 3-PHENYL-PROPANOIC ACID ESTERS AND SUBSTITUTED 3-PHENYL-PROPANOIC ACIDS NOVO NORDISK A/S (DK) 2002-05-22 EP disclosed
WO-2001011073-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED 3-PHENYL-PROPANOIC ACID ESTERS AND SUBSTITUTED 3-PHENYL-PROPANOIC ACIDS NOVO NORDISK A/S (DK) 2001-02-15 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 (1 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-20040102634-A1 Carboxylic acid derivative and salt thereof GPR119, IRS1, SLC5A1 GAA 2303/4885CYP3A4 952/4885CYP2C9 2186/4885

“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.