SCHEMBL6520868

SCHEMBL6520868

CCOC(=O)CC(=C(CC(=O)O)C(=O)O)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 2/20 0.36
POLB P06746 2/20 0.36
THRB P10828 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
CHRM1 P11229 2/20 0.34

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
SCHEMBL6519231 0.85 EPHX2 (0.33) ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL6519507 0.84 EPHX2 (0.35) MGAMGAASIMGAM2KMT2A
SCHEMBL6519508 0.81 NAAA (0.39) KMT2AMEN1HTTTHRB
SCHEMBL162618 0.81 NAAA (0.37) ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL6523839 0.81 HTT (0.41) ALDH1A1HTTKDM4EL3MBTL1SMN1; SMN2
SCHEMBL6519195 0.81 HTT (0.41) ALDH1A1HTTKDM4EL3MBTL1SMN1; SMN2
SCHEMBL6518902 0.80 NAAA (0.34) ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL6517478 0.79 CYP3A4 (0.47) ALDH1A1ATML3MBTL1
SCHEMBL6518783 0.79 GAA (0.42) ALDH1A1MGAMGAASIMGAM2
SCHEMBL6518779 0.79 GAA (0.42) ALDH1A1MGAMGAASIMGAM2

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-6958366-B2 Antifouling coating composition and novel resin DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-10-25 US disclosed
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 1254/4885MGAM 2878/4885GAA 3231/4885

“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.