SCHEMBL6514830

SCHEMBL6514830

C=C(C(=O)O)C(CC(C)=O)(CC(CC)CCCC)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.36
TSHR P16473 3/20 0.35
ALDH1A1 P00352 4/20 0.35
CYP3A4 P08684 4/20 0.34
TDP1 Q9NUW8 2/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MAPK1 P28482 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
SCHEMBL227552 0.90 CA2 (0.41) CA2TSHRALDH1A1CYP3A4TDP1
SCHEMBL6517019 0.85 RECQL (0.40) CA2TSHRALDH1A1CYP3A4TDP1
SCHEMBL6516551 0.80 CNR2 (0.41) CA2TSHRALDH1A1CYP3A4L3MBTL1
SCHEMBL453703 0.80 CA2 (0.48) CA2TSHRALDH1A1CYP3A4TDP1
SCHEMBL6517076 0.80 CYP3A4 (0.36) CA2TSHRALDH1A1CYP3A4TDP1
SCHEMBL6520709 0.80 ALDH1A1 (0.34) CA2TSHRALDH1A1CYP3A4L3MBTL1
SCHEMBL11587612 0.79 CA2 (0.44) CA2TSHRALDH1A1CYP3A4TDP1
SCHEMBL6519498 0.78 ALOX5 (0.36) CA2TSHRALDH1A1CYP3A4TDP1
SCHEMBL6523936 0.77 ALDH1A1 (0.40) CA2TSHRALDH1A1CYP3A4TDP1
SCHEMBL17241161 0.75 CA2 (0.42) CA2TSHRALDH1A1CYP3A4TDP1

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 CA2 3748/4885TSHR 3581/4885ALDH1A1 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.