SCHEMBL4839635

SCHEMBL4839635

CCc1ccc(C=O)c(O)c1NCCNC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
KDM4E B2RXH2 3/20 0.37
F13A1 P00488 1/20 0.37
MTNR1A P48039 6/20 0.37
MTNR1B P49286 6/20 0.37
ALDH1A1 P00352 5/20 0.35
HSD17B10 Q99714 4/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
BLM P54132 2/20 0.35
HIF1A Q16665 2/20 0.35
LMNA P02545 1/20 0.35
PTGS1 P23219 1/20 0.35
CYP1A2 P05177 4/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2D6 P10635 3/20 0.35

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
SCHEMBL4843534 0.76 CA12 (0.47) CA12CA4CA7CA9CA14
SCHEMBL5035892 0.71 GABRA1 (0.48) ALDH1A1
SCHEMBL1981756 0.69 ERN1 (0.41)
SCHEMBL27157043 0.67 ERN1 (0.44)
SCHEMBL25419672 0.67 TSHR (0.43) ALDH1A1CYP3A4TSHR
SCHEMBL5987657 0.66 MTNR1A (0.58) KDM4EF13A1MTNR1AMTNR1BBLM
SCHEMBL28775677 0.65 GABRA1 (0.45)
SCHEMBL8535693 0.64 KDM4E (0.59) CA12CA4CA7CA9CA14
SCHEMBL28968695 0.64 ALDH1A1 (0.41) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL5988147 0.64 MTNR1A (0.57) MTNR1AMTNR1B

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 CA12 739/4885CA4 1121/4885CA7 1034/4885
US-20070167644-A1 BIFUNCTIONAL ENERGY-REVERSIBLE ACYL-COMPOSITIONS ACACB, ACAT1, ACACA CA12 729/4885CA4 1132/4885CA7 1045/4885
US-20060106204-A1 Bifunctional energy-reversible acyl-compositions ACACB, ACAT1, ACACA CA12 729/4885CA4 1132/4885CA7 1045/4885

“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.