SCHEMBL14902207

SCHEMBL14902207

CC(=O)CC(=O)N(C)C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
KMT2A Q03164 4/20 0.48
PKM P14618 1/20 0.46
ATM Q13315 1/20 0.44
MEN1 O00255 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
FAAH O00519 1/20 0.42
PHGDH O43175 1/20 0.42
MGLL Q99685 1/20 0.42
NPBWR1 P48145 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL15016380 0.98 ALDH1A1 (0.53) ALDH1A1KMT2APKMATMMEN1
SCHEMBL16210731 0.94 ALDH1A1 (0.50) ALDH1A1KMT2APKMATMMEN1
SCHEMBL7129642 0.90 ALDH1A1 (0.59) ALDH1A1KMT2APKMATMMEN1
SCHEMBL29564334 0.83 ALDH1A1 (0.41) ALDH1A1KMT2APKMATMMEN1
SCHEMBL9496883 0.82 ALDH1A1 (0.53) ALDH1A1KMT2APKMATMMEN1
SCHEMBL4145907 0.82 ALDH1A1 (0.56) ALDH1A1KMT2APKMATMMEN1
SCHEMBL10723835 0.81 ALDH1A1 (0.59) ALDH1A1KMT2APKMATMMEN1
Zinc Ion SCHEMBL15016379 0.79 ALDH1A1 (0.50) ALDH1A1KMT2APKMATMMEN1
SCHEMBL5143781 0.79 ALDH1A1 (0.58) ALDH1A1KMT2APKMATMMEN1
SCHEMBL6608940 0.79 ALDH1A1 (0.58) ALDH1A1KMT2APKMATMMEN1

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 20 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-9796806-B2 Dioxomolybdenum (VI) complex compounds as catalysts for polyurethane compositions SIKA TECHNOLOGY AG (CH) 2017-10-24 US disclosed
EP-2791145-B1 ZINC(II) -COMPLEX-COMPOUNDS AS CATALYSTS FOR POLYURETAHNE-COMPOSITIONS SIKA TECH AG (CH) 2017-05-03 EP disclosed
US-9593196-B2 Zinc(II) complex compounds as catalysts for polyurethane compositions SIKA TECHNOLOGY AG (CH) 2017-03-14 US disclosed
US-20160326296-A1 DIOXOMOLYBDENUM (VI) COMPLEX COMPOUNDS AS CATALYSTS FOR POLYURETHANE COMPOSITIONS SIKA TECHNOLOGY AG (CH) 2016-11-10 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
EP-2791154-B1 DIOXOMOLYBDENUM(VI) COMPLEXES AS CATALYSTS FOR POLYURETHANE COMPOSITIONS SIKA TECHNOLOGY AG (CH) 2016-08-31 EP disclosed
US-9422390-B2 Dioxomolybdenum (VI) complex compounds as catalysts for polyurethane compositions SIKA TECHNOLOGY AG (CH) 2016-08-23 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
US-20140329966-A1 DIOXOMOLYBDENUM (VI) COMPLEX COMPOUNDS AS CATALYSTS FOR POLYURETHANE COMPOSITIONS SIKA TECHNOLOGY AG (CH) 2014-11-06 US disclosed
EP-2791154-A1 DIOXOMOLYBDENUM (VI) COMPLEX COMPOUNDS AS CATALYSTS FOR POLYURETHANE COMPOSITIONS Sika Technology AG (CH) 2014-10-22 EP disclosed
EP-2791145-A1 ZINC(II) COMPLEX COMPOUNDS AS CATALYSTS FOR POLYURETHANE COMPOSITIONS Sika Technology AG (CH) 2014-10-22 EP disclosed
US-20140296427-A1 ZINC(II) COMPLEX COMPOUNDS AS CATALYSTS FOR POLYURETHANE COMPOSITIONS SIKA TECHNOLOGY AG (CH) 2014-10-02 US disclosed
WO-2013087680-A1 ZINC(II) COMPLEX COMPOUNDS AS CATALYSTS FOR POLYURETHANE COMPOSITIONS SIKA TECHNOLOGY AG (CH) 2013-06-20 WO disclosed
WO-2013087679-A1 DIOXOMOLYBDENUM (VI) COMPLEX COMPOUNDS AS CATALYSTS FOR POLYURETHANE COMPOSITIONS SIKA TECHNOLOGY AG (CH) 2013-06-20 WO disclosed
EP-2604613-A1 Zinc(II) complexes as catalysts for polyurethane compositions Sika Technology AG (CH) 2013-06-19 EP disclosed
EP-2604616-A1 Dioxomolybdenum(VI) complexes as catalysts for polyurethane compositions Sika Technology AG (CH) 2013-06-19 EP 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 (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-20130109662-A1 Fe(III) Complex Compounds For The Treatment And Prophylaxis Of Iron Deficiency Symptoms And Iron Deficiency Anemias FECH, SDHB, SLC40A1 ALDH1A1 1539/4885KMT2A 2843/4885PKM 850/4885
US-20160326296-A1 DIOXOMOLYBDENUM (VI) COMPLEX COMPOUNDS AS CATALYSTS FOR POLYURETHANE COMPOSITIONS DUOX2, PUF60, DUOX1 ALDH1A1 2137/4885KMT2A 1839/4885PKM 413/4885
US-20160310459-A1 Fe(III) Complex Compounds For The Treatment And Prophylaxis Of Iron Deficiency Symptoms And Iron Deficiency Anemias FECH, SDHB, SLC40A1 ALDH1A1 1539/4885KMT2A 2843/4885PKM 850/4885

“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.