SCHEMBL6520853

SCHEMBL6520853

C=C(C(=O)O)C(CC(=O)OCC)(C(=O)O)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
CYP2D6 P10635 1/20 0.35
ALDH1A1 P00352 6/20 0.33
POLB P06746 2/20 0.33
KDM4E B2RXH2 1/20 0.33
THRB P10828 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 2/20 0.32
EPHX1 P07099 1/20 0.32
MEN1 O00255 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM1 P11229 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
SCHEMBL6519219 0.85 EPHX1 (0.33) KMT2AEPHX1MEN1
SCHEMBL6519493 0.84 EPHX2 (0.36) EPHX1
SCHEMBL6519491 0.81 EPHX2 (0.36) KMT2ATHRBTSHRMEN1NPSR1
SCHEMBL13269015 0.81 ALDH1A1 (0.34) KMT2ACYP2D6ALDH1A1POLBKDM4E
SCHEMBL6519186 0.81 CYP2C19 (0.39) ALDH1A1KDM4EEPHX1
SCHEMBL6523828 0.81 CYP2C19 (0.39) ALDH1A1KDM4EEPHX1
SCHEMBL6518888 0.81
SCHEMBL162617 0.80 KEAP1 (0.32) CYP2D6EPHX1CHRM2CHRM4CHRM1
SCHEMBL6517466 0.80 CYP3A4 (0.46) ALDH1A1ATML3MBTL1TSHRTDP1
SCHEMBL13268892 0.79 ALDH1A1 (0.32) KMT2ACYP2D6ALDH1A1POLBKDM4E

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 KMT2A 1067/4885CYP2D6 3383/4885ALDH1A1 1254/4885

“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.