SCHEMBL14890835

SCHEMBL14890835

CCCCC(=O)CC(N)=O.CCCCC(=O)CC(N)=O.CCCCC(=O)CC(N)=O.[Fe]

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.47
CES1 P23141 6/20 0.46
CES2 O00748 5/20 0.46
TP53 P04637 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
SOAT1 P35610 2/20 0.42
MEN1 O00255 1/20 0.42
FAAH O00519 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPT P10636 1/20 0.41
CA1 P00915 1/20 0.41
CNR1 P21554 1/20 0.39
KDM4E B2RXH2 2/20 0.38
AKR1B1 P15121 1/20 0.37

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
SCHEMBL2418695 0.98 HAO1 (0.48) HAO1CES1CES2TP53ALDH1A1
SCHEMBL7150300 0.91 HAO1 (0.57) HAO1CES1CES2TP53ALDH1A1
SCHEMBL2942506 0.88 HAO1 (0.61) HAO1CES1CES2TP53ALDH1A1
SCHEMBL21654254 0.88 HAO1 (0.61) HAO1CES1CES2TP53ALDH1A1
SCHEMBL7913988 0.88 HAO1 (0.61) HAO1CES1CES2TP53ALDH1A1
SCHEMBL2419176 0.88 HAO1 (0.61) HAO1CES1CES2TP53ALDH1A1
SCHEMBL4155221 0.88 HAO1 (0.61) HAO1CES1CES2TP53ALDH1A1
SCHEMBL21779566 0.88 HAO1 (0.61) HAO1CES1CES2TP53ALDH1A1
SCHEMBL1515939 0.88 HAO1 (0.61) HAO1CES1CES2TP53ALDH1A1
SCHEMBL7145261 0.88 HAO1 (0.61) HAO1CES1CES2TP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9943498-B2 Fe(III) complex compounds for the treatment and prophylaxis of iron deficiency symptoms and iron deficiency anemias VIFOR (INTERNATIONAL) AG (CH) 2018-04-17 US disclosed
US-20160310459-A1 Fe(III) Complex Compounds For The Treatment And Prophylaxis Of Iron Deficiency Symptoms And Iron Deficiency Anemias VIFOR (INTERNATIONAL) AG (CH) 2016-10-27 US disclosed
US-9394324-B2 Fe(III) complex compounds for the treatment and prophylaxis of iron deficiency symptoms and iron deficiency anemias VIFOR (INTERNATIONAL) AG (CH) 2016-07-19 US disclosed
US-20130109662-A1 Fe(III) Complex Compounds For The Treatment And Prophylaxis Of Iron Deficiency Symptoms And Iron Deficiency Anemias VIFOR (INTERNATIONAL) AG (CH) 2013-05-02 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 (2 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-20130109662-A1 Fe(III) Complex Compounds For The Treatment And Prophylaxis Of Iron Deficiency Symptoms And Iron Deficiency Anemias FECH, SDHB, SLC40A1 HAO1 851/4885CES1 3319/4885CES2 4430/4885
US-20160310459-A1 Fe(III) Complex Compounds For The Treatment And Prophylaxis Of Iron Deficiency Symptoms And Iron Deficiency Anemias FECH, SDHB, SLC40A1 HAO1 851/4885CES1 3319/4885CES2 4430/4885

“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.