SCHEMBL14902206

SCHEMBL14902206

CC(=O)CC(=O)NN1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 2/20 0.40
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
CYP3A4 P08684 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
ALOX12 P18054 1/20 0.37
NFKB1 P19838 1/20 0.37
LIPE Q05469 1/20 0.35
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL915516 0.98 L3MBTL1 (0.40) L3MBTL1HTTALDH1A1MAPTCYP3A4
SCHEMBL10667899 0.81 CA12 (0.53) HTTALDH1A1TP53GAALIPE
SCHEMBL1428597 0.80 HTT (0.41) L3MBTL1HTTALDH1A1MAPTCYP3A4
SCHEMBL15054837 0.80 HTT (0.41) L3MBTL1HTTALDH1A1MAPTCYP3A4
SCHEMBL4591725 0.80 HTT (0.47) L3MBTL1HTTALDH1A1MAPTCYP3A4
SCHEMBL2413232 0.79 CYP2D6 (0.45) HTTLIPESMN1; SMN2
Hydrochloric Acid SCHEMBL7311086 0.78 HTT (0.40) L3MBTL1HTTALDH1A1MAPTCYP3A4
Hydrochloric Acid SCHEMBL15054835 0.78 HTT (0.40) L3MBTL1HTTALDH1A1MAPTCYP3A4
SCHEMBL14902220 0.78 TLR4 (0.38) HTTALDH1A1MAPTGNAI3GNAO1
SCHEMBL3875596 0.77 HTT (0.44) L3MBTL1HTTALDH1A1MAPTKDM4E

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 10 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-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-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-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
CN-103613510-B Simple method for dehalogenating alpha-halogenated compounds UNIV ZHEJIANG TECHNOLOGY 2015-05-06 CN disclosed
CN-103613510-A Simple method for dehalogenating alpha-halogenated compounds UNIV ZHEJIANG TECHNOLOGY 2014-03-05 CN 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
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 L3MBTL1 2282/4885HTT 1795/4885ALDH1A1 1539/4885
US-20160310459-A1 Fe(III) Complex Compounds For The Treatment And Prophylaxis Of Iron Deficiency Symptoms And Iron Deficiency Anemias FECH, SDHB, SLC40A1 L3MBTL1 2282/4885HTT 1795/4885ALDH1A1 1539/4885

“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.