SCHEMBL1619607

SCHEMBL1619607

COCCOCCOC[C@H](C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.35
CYP1A2 P05177 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MME P08473 1/20 0.34
POLB P06746 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
CA2 P00918 1/20 0.32
FOLH1 Q04609 2/20 0.31
NAALAD2 Q9Y3Q0 2/20 0.31
ENPEP Q07075 1/20 0.31
BLM P54132 1/20 0.31

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
SCHEMBL3632408 0.98 GABRR1 (0.37) GABRR1CYP1A2ALDH1A1KDM4EMME
SCHEMBL14177527 0.98 GABRR1 (0.37) GABRR1CYP1A2ALDH1A1KDM4EMME
SCHEMBL10611272 0.88 GABRR1 (0.33) GABRR1CYP1A2ALDH1A1KDM4EMME
SCHEMBL1618219 0.83 TSHR (0.33) GABRR1CYP1A2ALDH1A1KDM4EMEN1
SCHEMBL28172828 0.83 MME (0.38) ALDH1A1KDM4EMEN1KMT2AMME
SCHEMBL11081993 0.82 FOLH1 (0.36) GABRR1CYP1A2ALDH1A1KDM4EMME
SCHEMBL28544923 0.82 MEN1 (0.39) ALDH1A1KDM4EMEN1KMT2ACA2
SCHEMBL1708891 0.82
SCHEMBL11933048 0.82
SCHEMBL143520 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088848-A1 METHODS AND COMPOSITIONS FOR CONTROLLED POLYPEPTIDE SYNTHESIS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2012-04-12 US disclosed
US-20120088848-A1 METHODS AND COMPOSITIONS FOR CONTROLLED POLYPEPTIDE SYNTHESIS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2012-04-12 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-20120088848-A1 METHODS AND COMPOSITIONS FOR CONTROLLED POLYPEPTIDE SYNTHESIS NGLY1, LNPEP, NPPA GABRR1 4223/4885CYP1A2 4753/4885ALDH1A1 4856/4885

“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.