SCHEMBL4888352

SCHEMBL4888352

O=C(O)C(O)CC1CCCCO1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 5/20 0.40
TP53 P04637 1/20 0.40
ALOX12 P18054 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
PKM P14618 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL1711899 0.94 USP2 (0.46) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL1711904 0.94 USP2 (0.46) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL1711900 0.94 USP2 (0.46) USP2SMN1; SMN2HPGDTP53ALOX12
Acetonitrile SCHEMBL27943294 0.84 USP2 (0.39) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL18269631 0.80 USP2 (0.40) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL936034 0.80 GRIN2D (0.43) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL22145206 0.80 USP2 (0.40) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL29018459 0.80 USP2 (0.40) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL11864950 0.79 USP2 (0.49) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL2398386 0.77 USP2 (0.38) USP2SMN1; SMN2HPGDTP53ALOX12

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-20080008798-A1 Salts of astaxathin esters DSM IP ASSETS B.V. (NL) 2008-01-10 US disclosed
EP-1474388-B1 ASTAXANTHIN ESTERS DSM IP ASSETS BV (NL) 2007-11-28 EP disclosed
US-7253297-B2 Astaxanthin esters DSM IP ASSETTS B.V. (NL) 2007-08-07 US disclosed
US-20070110881-A1 Astaxanthin-disuccinate and Astaxanthin dimethyldisuccinate; pigmenting carotinoids for feed for aquatic animals; improved stability during extrusion at elevated temperatures; storage stability GLOOR ARNOLD 2007-05-17 US disclosed
US-20050096477-A1 Astaxanthin esters DSM IP ASSETS B.V. (NL) 2005-05-05 US disclosed
EP-1474388-A1 ASTAXANTHIN ESTERS DSM IP Assets B.V. (NL) 2004-11-10 EP disclosed
WO-2003066583-A1 ASTAXANTHIN ESTERS DSM IP ASSETS B.V. (NL) 2003-08-14 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 (3 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-20050096477-A1 Astaxanthin esters SCO2, CWC22, ACOX3 USP2 1473/4885SMN1; SMN2 2680/4885HPGD 2490/4885
US-20080008798-A1 Salts of astaxathin esters SCO2, ACOX3, NCEH1 USP2 1975/4885SMN1; SMN2 2639/4885HPGD 2557/4885
US-20070110881-A1 Astaxanthin-disuccinate and Astaxanthin dimethyldisuccinate; pigmenting carotinoids for feed for aquatic animals; improved stability during extrusion at elevated temperatures; storage stability SCO2, ACOX3, CWC22 USP2 814/4885SMN1; SMN2 1619/4885HPGD 2570/4885

“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.