SCHEMBL393005

SCHEMBL393005

O=C(Cl)OCOC(=O)C1CCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 4/20 0.38
HPGD P15428 1/20 0.38
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
POLB P06746 1/20 0.35
PAX8 Q06710 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
MEN1 O00255 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL7713705 0.96 ALDH1A1 (0.41) SMN1; SMN2KMT2AHTTTDP1ALDH1A1
SCHEMBL7709824 0.94 ALDH1A1 (0.44) SMN1; SMN2KMT2AALDH1A1ADRB2ADRB1
SCHEMBL7715350 0.91 HPGD (0.35) SMN1; SMN2KMT2AHTTTDP1ALDH1A1
SCHEMBL10099631 0.82 ALDH1A1 (0.50) SMN1; SMN2KMT2AHTTTDP1ALDH1A1
SCHEMBL21494406 0.77 ALDH1A1 (0.42) SMN1; SMN2KMT2AHTTTDP1ALDH1A1
SCHEMBL7516017 0.76
SCHEMBL16573650 0.74 ALDH1A1 (0.47) SMN1; SMN2KMT2AHTTTDP1ALDH1A1
SCHEMBL10249594 0.74
SCHEMBL7935181 0.73 ALDH1A1 (0.47) SMN1; SMN2KMT2AALDH1A1ATMADRB2
SCHEMBL21494302 0.73 ALDH1A1 (0.47) SMN1; SMN2KMT2AHTTTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SMN1; SMN2 4211/4885KMT2A 2161/4885HTT 4182/4885

“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.