SCHEMBL7040598

SCHEMBL7040598

C=C(CC(=O)OC(Cc1ccccc1)C(=O)OCCOC)C(=O)OC(Cc1ccccc1)C(=O)OCCOC

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.40
PPARG P37231 9/20 0.40
PPARA Q07869 8/20 0.40
ABCB1 P08183 1/20 0.38
TSHR P16473 1/20 0.38
SRR Q9GZT4 2/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
PPARD Q03181 1/20 0.36

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
SCHEMBL7040594 0.92 PPARG (0.39) PPARGPPARAABCB1TSHRSRR
SCHEMBL6523874 0.71 TDP1 (0.38) TSHRLMNA
SCHEMBL6523834 0.71 SMN1; SMN2 (0.41) PPARATSHRRAB9ALMNA
SCHEMBL6524302 0.71 CA12 (0.31) TSHR
SCHEMBL6518651 0.71 ALDH1A1 (0.43) ABCB1TSHRRAB9AKDM4ELMNA
SCHEMBL6523578 0.71 ALDH1A1 (0.43) ABCB1TSHRRAB9AKDM4ELMNA
SCHEMBL6523964 0.71 TDP1 (0.40) TSHRKDM4ELMNA
SCHEMBL24816421 0.70 TSHR (0.50) PPARGPPARATSHRSRRRAB9A
SCHEMBL7042230 0.70 CYP3A4 (0.34) TSHRRAB9ALMNA
SCHEMBL2309818 0.69 SLC7A5 (0.56) TSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ACE 4403/4885PPARG 2255/4885PPARA 2744/4885

“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.