SCHEMBL6515214

SCHEMBL6515214

CC(C)COC(=O)C(C)C(C(=O)O)=C(C(=O)O)C(C)C(=O)OCC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.43
ALDH1A1 P00352 5/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 2/20 0.32
P2RX4 Q99571 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
NFKB1 P19838 1/20 0.31
PTGS1 P23219 1/20 0.31
APEX1 P27695 1/20 0.31
THPO P40225 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
SCHEMBL6515206 1.00 TSHR (0.43) TSHRALDH1A1RAB9ATDP1L3MBTL1
SCHEMBL2275427 0.83 TSHR (0.52) TSHRALDH1A1RAB9ATDP1L3MBTL1
SCHEMBL6524277 0.79 ALDH1A1 (0.42) ALDH1A1HPGDHSD17B10MEN1LMNA
SCHEMBL15709922 0.79 ALDH1A1 (0.42) ALDH1A1HPGDHSD17B10MEN1LMNA
SCHEMBL15709919 0.79 ALDH1A1 (0.42) ALDH1A1HPGDHSD17B10MEN1LMNA
SCHEMBL6524283 0.79 ALDH1A1 (0.42) ALDH1A1HPGDHSD17B10MEN1LMNA
SCHEMBL15710095 0.79 ALDH1A1 (0.42) ALDH1A1HPGDHSD17B10MEN1LMNA
SCHEMBL9478200 0.76 TSHR (0.52) TSHRALDH1A1RAB9ATDP1L3MBTL1
SCHEMBL6521016 0.76 HCAR2 (0.41) TSHRALDH1A1TDP1SMN1; SMN2KDM4E
SCHEMBL6521022 0.76 HCAR2 (0.41) TSHRALDH1A1TDP1SMN1; SMN2KDM4E

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 3581/4885ALDH1A1 1254/4885RAB9A 2333/4885

“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.