SCHEMBL1024157

SCHEMBL1024157

CCCCC(CC)C(C)(C)CC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.35
MAPK1 P28482 1/20 0.35
CA1 P00915 4/20 0.34
FDPS P14324 1/20 0.34
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP3A4 P08684 1/20 0.32
DNM1 Q05193 2/20 0.32

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
SCHEMBL796692 0.81 CA2 (0.38) CA2MAPK1CA1FDPSALDH1A1
SCHEMBL21556882 0.81 CA2 (0.33) CA2MAPK1CA1FDPSALDH1A1
SCHEMBL11496837 0.78 CA2 (0.42) CA2MAPK1CA1FDPSALDH1A1
SCHEMBL17607693 0.77 CA2 (0.35) CA2MAPK1CA1FDPSALDH1A1
SCHEMBL23512384 0.77 OPRM1 (0.37) FDPSALDH1A1TDP1TSHRDNM1
SCHEMBL24066828 0.75 LMNA (0.47) CA2FDPSALDH1A1TSHRCYP3A4
SCHEMBL29163123 0.73 FDPS (0.42) CA2FDPSALDH1A1TSHRDNM1
SCHEMBL24786125 0.71
SCHEMBL10242782 0.71 FDPS (0.45) CA2MAPK1CA1FDPSALDH1A1
SCHEMBL2349339 0.71 CA2 (0.43) CA2MAPK1CA1FDPSALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846065-B2 Ester mixtures and compositions comprising such ester mixtures COGNIS IP MANAGEMENT GMBH (DE) 2014-09-30 US disclosed
US-20120115949-A1 Ester Mixtures And Compositions Comprising Such Ester Mixtures COGNIS IP MANAGEMENT GMBH (DE) 2012-05-10 US disclosed
EP-2448550-A1 ESTER MIXTURES AND COMPOSITIONS COMPRISING SUCH ESTER MIXTURES Cognis IP Management GmbH (DE) 2012-05-09 EP disclosed
WO-2011000487-A1 ESTER MIXTURES AND COMPOSITIONS COMPRISING SUCH ESTER MIXTURES COGNIS IP MANAGEMENT GMBH (DE) 2011-01-06 WO disclosed
EP-2269566-A1 Ester mixtures and compositions comprising such ester mixtures Cognis IP Management GmbH (DE) 2011-01-05 EP 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-20120115949-A1 Ester Mixtures And Compositions Comprising Such Ester Mixtures CES1, CETP, CES2 CA2 1786/4885MAPK1 4342/4885CA1 2843/4885

“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.