SCHEMBL26062047

SCHEMBL26062047

CC(=O)C(C)(C)CCCc1ccccc1CCCC1(C(C)=O)CC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.32
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30
PPARA Q07869 1/20 0.30
CYP2D6 P10635 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL25997167 0.93 LTB4R (0.36) LTB4RCYP4F2CYP4A11
SCHEMBL26062056 0.92 LTB4R (0.38) LTB4RCYP4F2CYP4A11
SCHEMBL25997177 0.92 LTB4R (0.38) LTB4RCYP4F2CYP4A11
SCHEMBL25997196 0.92 LTB4R (0.38) LTB4RCYP4F2CYP4A11
SCHEMBL26062041 0.91 LTB4R (0.41) LTB4RPPARA
SCHEMBL25997199 0.91 LTB4R (0.34) LTB4RPPARACYP2D6SLC6A2SLC6A4
SCHEMBL25997242 0.87 CYP4F2 (0.36) CYP4F2CYP4A11
SCHEMBL25997157 0.84 LTB4R (0.38) LTB4RCYP4F2CYP4A11PPARA
SCHEMBL25997091 0.84 LTB4R (0.40) LTB4RCYP4F2CYP4A11PPARA
SCHEMBL26062068 0.82 CYP4F2 (0.39) CYP4F2CYP4A11

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-11737995-B2 Functionalized long-chain hydrocarbon mono- and di-carboxylic acids and derivatives thereof, and their use for the prevention or treatment of disease ESPERVITA THERAPEUTICS, INC. (US) 2023-08-29 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-11737995-B2 Functionalized long-chain hydrocarbon mono- and di-carboxylic acids and derivatives thereof, and their use for the prevention or treatment of disease AHR, PKD1, CFTR LTB4R 854/4885HSP90AA1 2755/4885HSP90AB1 3123/4885

“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.