SCHEMBL6521050

SCHEMBL6521050

C=C(C(=O)O)C(CCOCC)(CC(=O)c1ccc(C)cc1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.36
RAB9A P51151 6/20 0.36
KMT2A Q03164 5/20 0.36
MEN1 O00255 3/20 0.36
GSK3B P49841 1/20 0.35
MAPT P10636 4/20 0.34
TDP1 Q9NUW8 2/20 0.34
POLB P06746 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TTR P02766 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C8 P10632 1/20 0.34
CHRM1 P11229 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
ADRA1A P35348 1/20 0.34
PPARG P37231 1/20 0.34
HTR2B P41595 1/20 0.34
PPARA Q07869 1/20 0.34
SMN1; SMN2 Q16637 1/20 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
SCHEMBL6515218 0.90 POLB (0.40) NPC1KMT2AMEN1MAPTTDP1
SCHEMBL6520732 0.90 RARB (0.38) NPC1RAB9AKMT2AMEN1TDP1
SCHEMBL6516136 0.80 TSHR (0.39) MAPTTDP1POLBL3MBTL1TSHR
SCHEMBL1070355 0.78 THRB (0.39) TSHRALDH1A1
SCHEMBL6514698 0.77 POLB (0.43) NPC1KMT2AMEN1GSK3BMAPT
SCHEMBL6519690 0.76 NPC1 (0.45) NPC1RAB9AKMT2AMEN1GSK3B
SCHEMBL6523793 0.75 KDM4E (0.38) NPC1KMT2AMEN1TDP1L3MBTL1
SCHEMBL6519182 0.75 CTNNB1 (0.41) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL6514986 0.74 THRB (0.41) TSHRALDH1A1
SCHEMBL6515529 0.74 THRB (0.32)

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 NPC1 3563/4885RAB9A 2333/4885KMT2A 1067/4885

“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.