SCHEMBL1608836

SCHEMBL1608836

O=C(O)CCC(c1ccccc1)N1C(=O)C=CC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
CYP2D6 P10635 2/20 0.46
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.46
GLA P06280 1/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
NFKB1 P19838 1/20 0.46
APEX1 P27695 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
CPA3 P15088 1/20 0.40
NAALAD2 Q9Y3Q0 1/20 0.40
PTGS1 P23219 4/20 0.38
PTGS2 P35354 4/20 0.38

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
SCHEMBL19994458 0.83 LMNA (0.45) CYP2D6KDM4ECYP3A4CYP1A2CYP2C19
SCHEMBL10973243 0.83 KMT2A (0.47) ALDH1A1HSD17B10KDM4EPOLBHPGD
SCHEMBL29000169 0.82 KMT2A (0.50) ALDH1A1CYP2D6HSD17B10KDM4ETP53
SCHEMBL28786000 0.79 MGLL (0.38) ALDH1A1HSD17B10HPGDALOX12L3MBTL1
SCHEMBL721638 0.79 KMT2A (0.37) ALDH1A1ALOX12MAPK1L3MBTL1MAPT
SCHEMBL28286235 0.75 LMNA (0.41) ALDH1A1MAPTMEN1KMT2AGSK3A
SCHEMBL381291 0.74 KMT2A (0.46) ALDH1A1HPGDMAPK1MEN1KMT2A
SCHEMBL9562580 0.74 MGLL (0.46) ALDH1A1TP53HPGDALOX12MAPK1
SCHEMBL8871482 0.73 ALDH1A1 (0.41) ALDH1A1CYP2D6HSD17B10CYP3A4CYP1A2
SCHEMBL8871478 0.73 ALDH1A1 (0.41) ALDH1A1CYP2D6HSD17B10CYP3A4CYP1A2

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-20140363491-A1 NOVEL LIPOSOME COMPOSITIONS MEBIOPHARM CO., LTD. (JP) 2014-12-11 US disclosed
EP-1863448-B1 NOVEL LIPOSOME COMPOSITIONS MEBIOPHARM CO LTD (JP) 2014-11-26 EP disclosed
US-8758810-B2 Liposome compositions MEBIOPHARM CO., LTD. (JP) 2014-06-24 US disclosed
CN-101351225-B Tumor-targeted nanodelivery systems to improve early mri detection of cancer UNIV GEORGETOWN 2013-09-25 CN disclosed
US-20110081404-A1 NOVEL LIPOSOME COMPOSITIONS MEBIOPHARM CO., LTD. (JP) 2011-04-07 US disclosed
US-7829113-B2 comprising one or more phosphatidylcholines, an N-( omega )-dicarboxylic acid-derivatized phosphatidyl ethanolamine, a targeting factor-modified N-( omega )-dicarboxylic acid-derivatized phosphatidyl ethanolamine, an encapsulated drug, cholesterol; cancer treatment MEBIOPHARM CO., LTD. (JP) 2010-11-09 US disclosed
CN-101351225-A Tumor-targeted nanodelivery systems to improve early mri detection of cancer GEORGETOWN UNVERSITY (US) 2009-01-21 CN disclosed
WO-2008030818-A2 NOVEL LIPOSOME COMPOSITIONS MEBIOPHARM CO., LTD. (US) 2008-03-13 WO disclosed
US-20060222696-A1 comprising one or more phosphatidylcholines, an N-( omega )-dicarboxylic acid-derivatized phosphatidyl ethanolamine, a targeting factor-modified N-( omega )-dicarboxylic acid-derivatized phosphatidyl ethanolamine, an encapsulated drug, cholesterol; cancer treatment MEBIOPHARM CO., LTD. (JP) 2006-10-05 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 (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-20060222696-A1 comprising one or more phosphatidylcholines, an N-( omega )-dicarboxylic acid-derivatized phosphatidyl ethanolamine, a targeting factor-modified N-( omega )-dicarboxylic acid-derivatized phosphatidyl ethanolamine, an encapsulated drug, cholesterol; cancer treatment PHOSPHO1, SGMS2, SGMS1 ALDH1A1 3056/4885CYP2D6 2593/4885HSD17B10 587/4885
US-20140363491-A1 NOVEL LIPOSOME COMPOSITIONS PHOSPHO1, LIPA, LYPLAL1 ALDH1A1 4667/4885CYP2D6 2562/4885HSD17B10 2042/4885
US-20110081404-A1 NOVEL LIPOSOME COMPOSITIONS PHOSPHO1, LIPA, LYPLAL1 ALDH1A1 4667/4885CYP2D6 2562/4885HSD17B10 2042/4885

“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.