SCHEMBL13933249

SCHEMBL13933249

CSCC(C)C(=O)CCC(C)C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.44
CYP1A2 P05177 1/20 0.33
BLM P54132 1/20 0.33
TRPA1 O75762 1/20 0.32
KDM4C Q9H3R0 2/20 0.31
KDM4A O75164 1/20 0.31
PHF8 Q9UPP1 1/20 0.31
KDM2A Q9Y2K7 1/20 0.31
LTA4H P09960 1/20 0.31
RNPEP Q9H4A4 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL13933248 0.79 CYP1A2 (0.30) CYP1A2
SCHEMBL20579813 0.78 CA1 (0.41) CA1CYP1A2BLMLTA4HRNPEP
SCHEMBL108022 0.76 CA1 (0.48) CA1CYP1A2BLMTRPA1LTA4H
SCHEMBL12991448 0.76 ALDH1A1 (0.42)
SCHEMBL14403217 0.74 CA1 (0.46) CA1CYP1A2BLMTRPA1LTA4H
SCHEMBL14219264 0.73
SCHEMBL800723 0.72 CA1 (0.55) CA1CYP1A2BLMTRPA1
SCHEMBL9618592 0.71 CA1 (0.43) CA1CYP1A2BLMTRPA1
SCHEMBL24253185 0.71 NAMPT (0.42) CYP1A2BLMKDM4CKDM4APHF8
SCHEMBL17667791 0.70 CA1 (0.41) CA1CYP1A2BLMTRPA1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054623-A1 Lipo-Conjugation of Peptides NEOSE TECHNOLOGIES, INC. 2009-02-26 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-20090054623-A1 Lipo-Conjugation of Peptides PTMS, LYPLA1, LPCAT3 CA1 3958/4885CYP1A2 4726/4885BLM 4841/4885

“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.