SCHEMBL6521022

SCHEMBL6521022

CCCOC(=O)C(C)C(C(=O)O)=C(C(=O)O)C(C)C(=O)OCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.41
LMNA P02545 1/20 0.38
ALDH1A1 P00352 3/20 0.35
ESR1 P03372 1/20 0.33
CHRM1 P11229 1/20 0.33
TSHR P16473 1/20 0.33
SLC6A2 P23975 1/20 0.33
KDR P35968 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PPM1B O75688 1/20 0.33
PTPN1 P18031 1/20 0.33
PPP1CC P36873 1/20 0.33
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GRM1 Q13255 1/20 0.31
MAPK1 P28482 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL6521016 1.00 HCAR2 (0.41) HCAR2LMNAALDH1A1ESR1CHRM1
SCHEMBL6513684 0.88 HSD17B10 (0.36) HCAR2LMNAALDH1A1TSHRTDP1
SCHEMBL6513694 0.88 HSD17B10 (0.36) HCAR2LMNAALDH1A1TSHRTDP1
SCHEMBL6520964 0.88 ALDH1A1 (0.48) HCAR2LMNAALDH1A1ESR1TSHR
SCHEMBL6520976 0.88 ALDH1A1 (0.48) HCAR2LMNAALDH1A1ESR1TSHR
SCHEMBL6518156 0.84 NAAA (0.50) HCAR2LMNAALDH1A1TSHRNPSR1
SCHEMBL6531441 0.84 NAAA (0.50) HCAR2LMNAALDH1A1TSHRNPSR1
SCHEMBL6531444 0.84 NAAA (0.50) HCAR2LMNAALDH1A1TSHRNPSR1
SCHEMBL6518164 0.84 NAAA (0.50) HCAR2LMNAALDH1A1TSHRNPSR1
SCHEMBL4206328 0.84 HCAR2 (0.43) HCAR2LMNAALDH1A1ESR1CHRM1

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 HCAR2 3143/4885LMNA 2459/4885ALDH1A1 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.