SCHEMBL395780

SCHEMBL395780

CC(C)(C)N(CC(=O)OCc1ccccc1)C(=O)OCOC(=O)c1ccccc1CCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 4/20 0.48
SCN2A Q99250 4/20 0.48
SCN3A Q9NY46 4/20 0.48
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 6/20 0.40
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 3/20 0.38
MEN1 O00255 2/20 0.38
L3MBTL1 Q9Y468 5/20 0.38
MAPK1 P28482 2/20 0.38
CYP3A4 P08684 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
ADRB2 P07550 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL390294 0.89 SCN1A (0.52) SCN1ASCN2ASCN3AKMT2AALDH1A1
SCHEMBL394005 0.85 ALDH1A1 (0.41) ALDH1A1TDP1TSHRL3MBTL1MAPK1
SCHEMBL393274 0.84 SCN1A (0.44) SCN1ASCN2ASCN3AKMT2AALDH1A1
SCHEMBL394313 0.83 ADRB2 (0.42) KMT2AALDH1A1TDP1TSHRMEN1
SCHEMBL392543 0.83 ALDH1A1 (0.40) ALDH1A1TDP1TSHRL3MBTL1MAPK1
SCHEMBL393231 0.81 ALDH1A1 (0.42) KMT2AALDH1A1TDP1MEN1L3MBTL1
SCHEMBL393102 0.81 ALDH1A1 (0.59) KMT2AALDH1A1TDP1TSHRMEN1
SCHEMBL395208 0.81 ALDH1A1 (0.44) KMT2AALDH1A1TDP1TSHRMEN1
SCHEMBL393477 0.80 ALDH1A1 (0.43) KMT2AALDH1A1TDP1MEN1L3MBTL1
SCHEMBL394986 0.80 ALDH1A1 (0.43) KMT2AALDH1A1TDP1MEN1L3MBTL1

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-1919879-A1 9-AMINOCARBONYLSUBSTITUTED DERIVATIVES OF GLYCYLCYCLINES Wyeth a Corporation of the State of Delaware (US) 2008-05-14 EP claimed
WO-2007027599-A1 9-AMINOCARBONYLSUBSTITUTED DERIVATIVES OF GLYCYLCYCLINES WYETH (US) 2007-03-08 WO claimed
US-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines WYETH (US) 2007-03-01 US claimed
US-8101590-B2 9-aminocarbonylsubstituted derivatives of glycylcyclines WYETH LLC (US) 2012-01-24 US disclosed
EP-1919879-A1 9-AMINOCARBONYLSUBSTITUTED DERIVATIVES OF GLYCYLCYCLINES Wyeth a Corporation of the State of Delaware (US) 2008-05-14 EP disclosed
WO-2007027599-A1 9-AMINOCARBONYLSUBSTITUTED DERIVATIVES OF GLYCYLCYCLINES WYETH (US) 2007-03-08 WO disclosed
US-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines WYETH (US) 2007-03-01 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-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines Q6ZSR9, GMPS, RPS10 SCN1A 3690/4885SCN2A 2151/4885SCN3A 3261/4885

“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.