SCHEMBL5488903

SCHEMBL5488903

O=C(O)CC(O)(CC(=O)Oc1ccc(OCCCCCCN2CCOCC2)cc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
MEN1 O00255 1/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
KMT2A Q03164 1/20 0.55
EPHX2 P34913 2/20 0.48
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
HRH3 Q9Y5N1 7/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
HTR2A P28223 1/20 0.47
MAPK1 P28482 1/20 0.47
SCN1A P35498 1/20 0.47
HTR2B P41595 1/20 0.47
KCNH2 Q12809 1/20 0.47
SCN2A Q99250 1/20 0.47

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
Citric Acid SCHEMBL5494395 0.89 KDM4E (0.60) KDM4ESMN1; SMN2MEN1NPC1RAB9A
Citric Acid SCHEMBL5488896 0.89 KDM4E (0.60) KDM4ESMN1; SMN2MEN1NPC1RAB9A
SCHEMBL1672547 0.86 KDM4E (0.60) KDM4ESMN1; SMN2MEN1NPC1RAB9A
SCHEMBL6137121 0.86 KDM4E (0.60) KDM4ESMN1; SMN2MEN1NPC1RAB9A
Pramoxine SCHEMBL28549519 0.85 ALDH1A1 (0.68) KDM4ESMN1; SMN2MEN1NPC1RAB9A
SCHEMBL5495031 0.84 KDM4E (0.58) KDM4ESMN1; SMN2MEN1NPC1RAB9A
Citric Acid SCHEMBL5487236 0.79 KDM4E (0.59) KDM4ESMN1; SMN2MEN1NPC1RAB9A
Citric Acid SCHEMBL5495834 0.79 KDM4E (0.59) KDM4ESMN1; SMN2MEN1NPC1RAB9A
Citric Acid SCHEMBL1672548 0.79 KDM4E (0.59) KDM4ESMN1; SMN2MEN1NPC1RAB9A
Citric Acid SCHEMBL1672543 0.79 KDM4E (0.59) KDM4ESMN1; SMN2MEN1NPC1RAB9A

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 3 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

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 1807/4885SMN1; SMN2 57/4885MEN1 1089/4885

“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.