SCHEMBL7044012

SCHEMBL7044012

C=C(CC(=O)O)C(=O)OC(C(=O)Oc1ccc(C)cc1)c1ccc(C)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
FFAR1 O14842 2/20 0.34
PKM P14618 1/20 0.34
FNTA P49354 2/20 0.34
FNTB P49356 2/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL7044014 0.90 ALDH1A1 (0.38) ALDH1A1LMNAL3MBTL1NPSR1MEN1
SCHEMBL7042380 0.82 SLC6A2 (0.42) ALDH1A1LMNAL3MBTL1NPSR1PKM
SCHEMBL7041596 0.81 KEAP1 (0.40) ALDH1A1LMNAL3MBTL1NPSR1CNR1
SCHEMBL6523558 0.74 TDP1 (0.40) ALDH1A1LMNAL3MBTL1MEN1KMT2A
SCHEMBL7041600 0.73 CYP3A4 (0.42) ALDH1A1LMNAL3MBTL1NPSR1CNR1
SCHEMBL7041590 0.73 PTGES (0.35) ALDH1A1LMNAL3MBTL1NPSR1MEN1
SCHEMBL7042230 0.72 CYP3A4 (0.34) ALDH1A1LMNAL3MBTL1NPSR1PKM
SCHEMBL27672919 0.72 ALDH1A1 (0.54) ALDH1A1LMNAL3MBTL1NPSR1PKM
SCHEMBL7039621 0.72 ALDH1A1 (0.41) ALDH1A1LMNAPOLB
SCHEMBL7039645 0.68 MMP2 (0.41) ALDH1A1LMNAPKMMEN1KMT2A

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-20030118544-A1 Antifouling coating composition and novel resin DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-06-26 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-20030118544-A1 Antifouling coating composition and novel resin COL1A1, GLRA1, COL2A1 ALDH1A1 1254/4885LMNA 2459/4885L3MBTL1 1615/4885

“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.