SCHEMBL7082393

SCHEMBL7082393

CC(C)(C)[Si](C)(C)OCCCC(CCCO[Si](C)(C)C(C)(C)C)(C(=O)O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DUT P33316 2/20 0.37
PPARA Q07869 2/20 0.33
TTR P02766 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C8 P10632 1/20 0.33
CHRM1 P11229 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
ADRA1A P35348 1/20 0.33
PPARG P37231 1/20 0.33
HTR2B P41595 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLCO1B3 Q9NPD5 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CISD1 Q9NZ45 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.33
ARG1 P05089 1/20 0.32
ARG2 P78540 1/20 0.32

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
SCHEMBL15863148 0.78 DUT (0.37) DUTPPARA
SCHEMBL4590603 0.77 ALDH1A1 (0.41) DUTPPARATSHRPPARGTDP1
SCHEMBL27192544 0.77 ACLY (0.37) DUTPPARATTRCYP1A2CYP2C8
SCHEMBL734856 0.77 TET2 (0.35) DUTTSHR
SCHEMBL5383069 0.76 ALDH1A1 (0.38) DUT
SCHEMBL12793189 0.76 DUT (0.39) DUT
SCHEMBL4855131 0.76 ALDH1A1 (0.48) DUTPPARATSHRPPARGTDP1
SCHEMBL19460463 0.76 DUT (0.38) DUT
SCHEMBL7071668 0.75 DUT (0.35) DUTPPARA
SCHEMBL15953790 0.75 DUT (0.33) DUT

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-20030027870-A1 Fullerene derivatives that modulate nitric oxide synthase and clamodulin activity NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-02-06 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-20030027870-A1 Fullerene derivatives that modulate nitric oxide synthase and clamodulin activity NOS1, NOS2, NOS3 DUT 3314/4885PPARA 4415/4885TTR 2993/4885

“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.