SCHEMBL5495031

SCHEMBL5495031

O=C(O)CC(O)(CC(=O)Oc1ccccc1OCCCCN1CCOCC1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.58
TDP1 Q9NUW8 2/20 0.58
ALDH1A1 P00352 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
ABCB1 P08183 1/20 0.52
USP2 O75604 1/20 0.51
POLB P06746 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
RAD52 P43351 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
EPHX2 P34913 1/20 0.43

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
SCHEMBL1672547 0.99 KDM4E (0.60) KDM4ETDP1ALDH1A1SMN1; SMN2ABCB1
SCHEMBL6137121 0.99 KDM4E (0.60) KDM4ETDP1ALDH1A1SMN1; SMN2ABCB1
Citric Acid SCHEMBL5495033 0.88 KDM4E (0.57) KDM4ETDP1ALDH1A1SMN1; SMN2ABCB1
Citric Acid SCHEMBL5495022 0.88 KDM4E (0.57) KDM4ETDP1ALDH1A1SMN1; SMN2ABCB1
Citric Acid SCHEMBL5495834 0.87 KDM4E (0.59) KDM4ETDP1ALDH1A1SMN1; SMN2ABCB1
Citric Acid SCHEMBL1672543 0.87 KDM4E (0.59) KDM4ETDP1ALDH1A1SMN1; SMN2ABCB1
Citric Acid SCHEMBL1672548 0.87 KDM4E (0.59) KDM4ETDP1ALDH1A1SMN1; SMN2ABCB1
Citric Acid SCHEMBL5487236 0.87 KDM4E (0.59) KDM4ETDP1ALDH1A1SMN1; SMN2ABCB1
SCHEMBL5488903 0.84 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2CYP1A2MEN1
Citric Acid SCHEMBL5494395 0.78 KDM4E (0.60) KDM4ETDP1ALDH1A1SMN1; SMN2USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1453816-B1 PHENOXY AMINE COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2013-09-18 EP disclosed
US-7297794-B2 Phenoxy amine compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2007-11-20 US disclosed
US-20050119502-A1 Phenoxy amine compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2005-06-02 US disclosed
EP-1453816-A4 PHENOXY AMINE COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2005-02-09 EP disclosed
EP-1453816-A2 PHENOXY AMINE COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS Emisphere Technologies, Inc. (US) 2004-09-08 EP disclosed
WO-2003045306-A2 PHENOXY AMINE COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2003-06-05 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-20050119502-A1 Phenoxy amine compounds and compositions for delivering active agents PNMT, SLC5A7, PHOSPHO1 KDM4E 1807/4885TDP1 1482/4885ALDH1A1 2714/4885

“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.