SCHEMBL6499787

SCHEMBL6499787

CCOC(=O)CCN(C(=O)OC(C)(C)C)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
PDE2A O00408 1/20 0.34
P2RY12 Q9H244 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 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
SCHEMBL6495211 0.99 ALDH1A1 (0.39) ALDH1A1PDE3BPDE3ANFKB1NFKB2
SCHEMBL6501399 0.97 NFKB1 (0.39) ALDH1A1PDE3BPDE3ANFKB1NFKB2
SCHEMBL6488909 0.93 NFKB1 (0.39) ALDH1A1PDE3BPDE3ANFKB1NFKB2
SCHEMBL20408343 0.87 ALDH1A1 (0.37) ALDH1A1PDE3BPDE3ANFKB1NFKB2
SCHEMBL14095485 0.85 ALDH1A1 (0.41) ALDH1A1PDE3BPDE3ANFKB1NFKB2
SCHEMBL15297743 0.84 GPR119 (0.43) ALDH1A1KMT2AMEN1SMN1; SMN2TSHR
SCHEMBL15370101 0.83 NFKB1 (0.40) ALDH1A1PDE3BPDE3ANFKB1NFKB2
SCHEMBL9200042 0.83 KDM5A (0.38) ALDH1A1L3MBTL1
SCHEMBL13494079 0.83 ADH1A (0.41) ALDH1A1NFKB1NFKB2RELAL3MBTL1
SCHEMBL22216377 0.81 MGAM (0.42) ALDH1A1PDE3BPDE3AL3MBTL1PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1890703-B1 PYRIMIDINE COMPOUNDS AS CHEMOKINE RECEPTORS INHIBITORS TAIGEN BIOTECHNOLOGY CO LTD (TW) 2016-05-11 EP disclosed
US-8193206-B2 Pyrimidine compounds TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2012-06-05 US disclosed
US-7589197-B2 Pyrimidine compounds TAIGEN BIOTECHNOLOGY (TW) 2009-09-15 US disclosed
US-20090143302-A1 PYRIMIDINE COMPOUNDS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-06-04 US disclosed
US-6903107-B1 Serine protease inhibitor AKZO NOBEL N.V. (NL) 2005-06-07 US disclosed
EP-1123280-A1 SERINE PROTEASE INHIBITOR Akzo Nobel N.V. (NL) 2001-08-16 EP disclosed
WO-2000024718-A1 SERINE PROTEASE INHIBITOR AKZO NOBEL N.V. (NL) 2000-05-04 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-20090143302-A1 PYRIMIDINE COMPOUNDS TYMS, TYMP, HPRT1 ALDH1A1 402/4885PDE3B 2103/4885PDE3A 2422/4885

“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.