SCHEMBL6520341

SCHEMBL6520341

CC(C)OC(=O)C(C)C(C(=O)O)=C(C(=O)O)C(C)C(=O)OC(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
HCAR2 Q8TDS4 1/20 0.38
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
PPARG P37231 1/20 0.31
NCOA2 Q15596 1/20 0.31
NCOA1 Q15788 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
MAPT P10636 1/20 0.31
CA12 O43570 5/20 0.31
CA1 P00915 5/20 0.31
CA2 P00918 5/20 0.31
CA7 P43166 5/20 0.31
CA9 Q16790 5/20 0.31
CA14 Q9ULX7 5/20 0.31
LMNA P02545 2/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL6520334 1.00 TSHR (0.42) TSHRHCAR2PDCD1CD274PPARG
SCHEMBL4585366 0.81 TSHR (0.53) TSHRHCAR2PDCD1CD274CA12
SCHEMBL6513308 0.77 SMN1; SMN2 (0.42) MAPTCA12CA1CA2CA14
SCHEMBL6513303 0.77 SMN1; SMN2 (0.42) MAPTCA12CA1CA2CA14
SCHEMBL6524283 0.73 ALDH1A1 (0.42) HCAR2LMNA
SCHEMBL15709919 0.73 ALDH1A1 (0.42) HCAR2LMNA
SCHEMBL6524277 0.73 ALDH1A1 (0.42) HCAR2LMNA
SCHEMBL15710095 0.73 ALDH1A1 (0.42) HCAR2LMNA
SCHEMBL15709922 0.73 ALDH1A1 (0.42) HCAR2LMNA
SCHEMBL622787 0.72 TSHR (0.43) TSHRHCAR2PPARGNCOA2NCOA1

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 TSHR 3581/4885HCAR2 3143/4885PDCD1 4571/4885

“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.