SCHEMBL394685

SCHEMBL394685

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HPGD P15428 1/20 0.44
CETP P11597 3/20 0.41
MBOAT4 Q96T53 1/20 0.40
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
EPHX2 P34913 2/20 0.39
ELANE P08246 3/20 0.39
CCKBR P32239 1/20 0.38
PTPN1 P18031 1/20 0.38

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
SCHEMBL394992 0.95 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AHPGDCETP
SCHEMBL395208 0.86 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AHPGDMAPK1
SCHEMBL389124 0.85 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AHPGDCETP
SCHEMBL393102 0.83 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AMAPK1L3MBTL1
SCHEMBL393060 0.83 TSHR (0.44) ALDH1A1MAPK1L3MBTL1CYP3A4TSHR
SCHEMBL392959 0.83 TSHR (0.44) ALDH1A1MAPK1L3MBTL1CYP3A4TSHR
SCHEMBL394986 0.82 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AHPGDMAPK1
SCHEMBL393477 0.82 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AHPGDMAPK1
SCHEMBL393317 0.82 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AHPGDMAPK1
SCHEMBL7564307 0.82 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AHPGDCETP

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 ALDH1A1 1826/4885MEN1 1471/4885KMT2A 2161/4885

“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.