SCHEMBL4843534

SCHEMBL4843534

CCc1cccc(O)c1NCCNC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA4 P22748 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
MTNR1A P48039 8/20 0.46
MTNR1B P49286 6/20 0.46
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
BLM P54132 2/20 0.40
HPGD P15428 1/20 0.40
PTGS1 P23219 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PKM P14618 2/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL6885169 0.82 GABRA1 (0.47) GABRA1GABRB2ALDH1A1MAPTHIF1A
SCHEMBL4839635 0.76 CA12 (0.38) CA12CA4CA7CA9CA14
SCHEMBL5839292 0.75 SCN5A (0.48) GABRA1GABRB2ALDH1A1MAPTKDM4E
SCHEMBL20364746 0.72 MTNR1A (0.56) MTNR1AMTNR1BALDH1A1MAPTKDM4E
SCHEMBL11413705 0.72 GABRA1 (0.52) GABRA1GABRB2ALDH1A1MAPTKDM4E
SCHEMBL1039416 0.71 MTNR1A (0.63) MTNR1AMTNR1BALDH1A1MAPTKDM4E
SCHEMBL28626455 0.71 ALDH1A1 (0.50) CA12CA7GABRA1GABRB2ALDH1A1
SCHEMBL4338457 0.70 CYP2C19 (0.54) GABRA1GABRB2ALDH1A1MAPTKDM4E
Ammonia Solution, Strong SCHEMBL11142977 0.69 CYP2C19 (0.53) GABRA1GABRB2ALDH1A1MAPTKDM4E
SCHEMBL29113974 0.69 GABRA1 (0.46) GABRA1GABRB2ALDH1A1MAPTKDM4E

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.