SCHEMBL7113045

SCHEMBL7113045

CC(=CCCN1CCCC1)C(=O)OC(=O)C(C)=CCCN1CC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
MAPT P10636 4/20 0.36
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 2/20 0.32
TSHR P16473 1/20 0.32
PAOX Q6QHF9 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
MAOB P27338 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
ALOX15 P16050 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
SCHEMBL1275570 0.80 CYP1A2 (0.41) ALDH1A1MAPTPOLBL3MBTL1CYP1A2
SCHEMBL1275573 0.80 CYP1A2 (0.41) ALDH1A1MAPTPOLBL3MBTL1CYP1A2
SCHEMBL6451735 0.79 L3MBTL1 (0.46) ALDH1A1MAPTPOLBL3MBTL1CYP1A2
SCHEMBL489033 0.79 CYP1A2 (0.44) ALDH1A1MAPTPOLBL3MBTL1CYP1A2
SCHEMBL6913912 0.77 L3MBTL1 (0.48) ALDH1A1MAPTPOLBL3MBTL1CYP1A2
SCHEMBL30361826 0.77 L3MBTL1 (0.48) ALDH1A1MAPTPOLBL3MBTL1CYP1A2
SCHEMBL504158 0.76 CD81 (0.39) ALDH1A1CYP1A2TSHRPAOXSIGMAR1
SCHEMBL5682570 0.76 CD81 (0.39) ALDH1A1CYP1A2TSHRPAOXSIGMAR1
SCHEMBL13318705 0.71 HRH3 (0.42) ALDH1A1MAPTPOLBL3MBTL1CYP1A2
SCHEMBL7754867 0.66 EP300 (0.41) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040171867-A1 Reactive monomer composition modified by a small-amount of lactones, an acrylic polyol resin, a curable resin composition, and a coating composition OKAZAKI AKIRA (JP) 2004-09-02 US disclosed
US-6767987-B2 CURABLE RESIN COMPOSITION COMPRISING ACRYLIC POLYOL RESIN INCLUDING HYDROXYALKYL(METH)ACRYLATE COMPOSITION HAVING SMALL AMOUNT OF POLYMERIZED LACTONE MONOMER, AND MELAMINE RESIN DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2004-07-27 US disclosed
US-20030149227-A1 Lowly lactone-modified reactive monomer composition, acrylic polyol resins produced with the same, curable resin compositions and coating compositions DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-08-07 US disclosed
EP-1227113-A1 LOWLY LACTONE-MODIFIED REACTIVE MONOMER COMPOSITION, ACRYLIC POLYOL RESINS PRODUCED WITH THE SAME, CURABLE RESIN COMPOSITIONS AND COATING COMPOSITIONS DAICEL CHEMICAL INDUSTRIES, Ltd. (JP) 2002-07-31 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-20040171867-A1 Reactive monomer composition modified by a small-amount of lactones, an acrylic polyol resin, a curable resin composition, and a coating composition MSR1, FUT4, MRE11 ALDH1A1 2508/4885MAPT 3471/4885POLB 2615/4885

“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.