SCHEMBL26062041

SCHEMBL26062041

CC(=O)C1(CCCc2ccccc2CCCC(C)(C)C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 8/20 0.41
PPARA Q07869 7/20 0.40
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
TBXAS1 P24557 4/20 0.35
TTR P02766 1/20 0.33
CYP2C8 P10632 1/20 0.33
CHRM1 P11229 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

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
SCHEMBL25997161 0.94 LTB4R (0.46) LTB4RPPARACYP1A2CYP2C9TBXAS1
SCHEMBL25997188 0.92 LTB4R (0.47) LTB4RPPARACYP1A2CYP2C9TBXAS1
SCHEMBL26062065 0.92 LTB4R (0.47) LTB4RPPARACYP1A2CYP2C9TBXAS1
SCHEMBL26062052 0.92 LTB4R (0.47) LTB4RPPARACYP1A2CYP2C9TBXAS1
SCHEMBL25997174 0.92 LTB4R (0.47) LTB4RPPARACYP1A2CYP2C9TBXAS1
SCHEMBL26062047 0.91 LTB4R (0.32) LTB4RPPARA
SCHEMBL22921296 0.91 LTB4R (0.42) LTB4RPPARACYP1A2CYP2C9TBXAS1
SCHEMBL25996447 0.87 LTB4R (0.44) LTB4RPPARACYP1A2CYP2C9TBXAS1
SCHEMBL25996448 0.87 LTB4R (0.46) LTB4RPPARACYP1A2CYP2C9TBXAS1
SCHEMBL25997242 0.86 CYP4F2 (0.36)

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 854/4885PPARA 99/4885CYP1A2 396/4885

“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.