SCHEMBL25922913

SCHEMBL25922913

C=C(CCCCC)CCCC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 4/20 0.48
▸ CES1 P23141 4/20 0.48
▸ AKR1B1 P15121 1/20 0.46
▸ GPR84 Q9NQS5 7/20 0.44
▸ PPARG P37231 7/20 0.44
▸ PPARD Q03181 7/20 0.44
▸ PPARA Q07869 7/20 0.44
▸ HDAC11 Q96DB2 5/20 0.44
▸ TSHR P16473 4/20 0.44
▸ PTPN1 P18031 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ TLR2 O60603 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ FABP4 P15090 2/20 0.44
▸ SLC22A6 Q4U2R8 1/20 0.44
▸ SLC22A8 Q8TCC7 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ ESR1 P03372 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ PDE4A P27815 1/20 0.44

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
SCHEMBL1471461 0.85 CES2 (0.57) CES2CES1AKR1B1GPR84PPARG
SCHEMBL29364 0.85 — —
SCHEMBL1580170 0.85 — —
SCHEMBL1324565 0.85 CES2 (0.63) CES2CES1AKR1B1GPR84PPARG
SCHEMBL13058105 0.84 ALDH1A1 (0.48) CES2CES1AKR1B1GPR84PPARG
Formaldehyde SCHEMBL3684953 0.83 CES2 (0.59) CES2CES1AKR1B1GPR84PPARG
2-Dodecanone SCHEMBL9956813 0.83 CES2 (0.59) CES2CES1AKR1B1GPR84PPARG
2-Dodecanone SCHEMBL23501396 0.83 CES2 (0.65) CES2CES1AKR1B1GPR84PPARG
SCHEMBL43776 0.83 — —
SCHEMBL6894926 0.83 CES2 (0.65) CES2CES1AKR1B1GPR84PPARG

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-20230242482-A9 DISCOVERY, TOTAL SYNTHESIS, AND BIOACTIVITY OF DOSCADENAMIDES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-08-03 — — 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-20230242482-A9 DISCOVERY, TOTAL SYNTHESIS, AND BIOACTIVITY OF DOSCADENAMIDES PDE9A, CGAS, PDE8A CES2 432/4885CES1 325/4885AKR1B1 4217/4885

“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.

Send feedback