SCHEMBL4843540

SCHEMBL4843540

CCN(CCNC(C)=O)c1cccc(O)c1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.61
CYP3A4 P08684 1/20 0.61
MTNR1A P48039 17/20 0.54
MTNR1B P49286 17/20 0.54
GFER P55789 1/20 0.48
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL244238 0.86 GFER (0.63) ALDH1A1CYP3A4MTNR1AMTNR1BGFER
SCHEMBL29387324 0.86 GFER (0.63) ALDH1A1CYP3A4MTNR1AMTNR1BGFER
SCHEMBL14369182 0.84 ALDH1A1 (0.55) ALDH1A1CYP3A4MTNR1AMTNR1BGFER
SCHEMBL11323791 0.83 MTNR1A (0.52) ALDH1A1MTNR1AMTNR1BGFERMEN1
SCHEMBL6665261 0.83 MTNR1A (0.52) MTNR1AMTNR1BGFERMEN1GAA
SCHEMBL8978503 0.83 MTNR1A (0.68) ALDH1A1MTNR1AMTNR1BGFERMEN1
SCHEMBL27964845 0.82 MTNR1B (0.54) MTNR1AMTNR1BGFERMEN1GAA
SCHEMBL17066857 0.80 MTNR1B (0.77) MTNR1AMTNR1B
SCHEMBL10782495 0.78 ALDH1A1 (0.79) ALDH1A1CYP3A4
SCHEMBL10620447 0.78 GFER (0.55) ALDH1A1CYP3A4GFERMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449315-B2 Bifunctional energy-reversible acyl-compositions CRYOLIFE, INC. (US) 2008-11-11 US disclosed
US-20070167644-A1 BIFUNCTIONAL ENERGY-REVERSIBLE ACYL-COMPOSITIONS CRYOLIFE, INC. (US) 2007-07-19 US disclosed
EP-1392204-A4 BIFUNCTIONAL ENERGY-REVERSIBLE ACYL-COMPOSITIONS CRYOLIFE INC (US) 2007-07-18 EP disclosed
US-7157458-B2 Bifunctional energy-reversible acyl-compositions CRYOLIFE, INC. (US) 2007-01-02 US disclosed
US-20060106204-A1 Bifunctional energy-reversible acyl-compositions GILBERT CARL W 2006-05-18 US disclosed
EP-1392204-A2 BIFUNCTIONAL ENERGY-REVERSIBLE ACYL-COMPOSITIONS CryoLife, Inc. (US) 2004-03-03 EP disclosed
US-20020187993-A1 Bifunctional energy-reversible acyl-compositions CRYOLIFE, INC. 2002-12-12 US disclosed
WO-2002083030-A2 BIFUNCTIONAL ENERGY-REVERSIBLE ACYL-COMPOSITIONS CRYOLIFE, INC. (US) 2002-10-24 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 (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-20020187993-A1 Bifunctional energy-reversible acyl-compositions ACACB, ACACA, ACAT1 ALDH1A1 951/4885CYP3A4 2478/4885MTNR1A 1586/4885
US-20070167644-A1 BIFUNCTIONAL ENERGY-REVERSIBLE ACYL-COMPOSITIONS ACACB, ACAT1, ACACA ALDH1A1 1248/4885CYP3A4 2527/4885MTNR1A 1637/4885
US-20060106204-A1 Bifunctional energy-reversible acyl-compositions ACACB, ACAT1, ACACA ALDH1A1 1248/4885CYP3A4 2527/4885MTNR1A 1637/4885

“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.