SCHEMBL25997161

SCHEMBL25997161

CC(=O)C1(CCCCc2ccccc2CCCCC(C)(C)C(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 8/20 0.46
PPARA Q07869 4/20 0.39
TBXAS1 P24557 4/20 0.36
ACLY P53396 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34

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
SCHEMBL25997174 0.99 LTB4R (0.47) LTB4RPPARATBXAS1ACLYCYP1A2
SCHEMBL25997188 0.99 LTB4R (0.47) LTB4RPPARATBXAS1ACLYCYP1A2
SCHEMBL26062065 0.99 LTB4R (0.47) LTB4RPPARATBXAS1ACLYCYP1A2
SCHEMBL26062052 0.99 LTB4R (0.47) LTB4RPPARATBXAS1ACLYCYP1A2
SCHEMBL26062041 0.94 LTB4R (0.41) LTB4RPPARATBXAS1CYP1A2CYP2C9
SCHEMBL22921383 0.91 LTB4R (0.46) LTB4RPPARATBXAS1ACLYCYP1A2
SCHEMBL25997167 0.91 LTB4R (0.36) LTB4R
SCHEMBL22921369 0.90 LTB4R (0.48) LTB4RPPARATBXAS1ACLYCYP1A2
SCHEMBL22921322 0.90 LTB4R (0.48) LTB4RPPARATBXAS1ACLYCYP1A2
SCHEMBL22921417 0.90 LTB4R (0.48) LTB4RPPARATBXAS1ACLYCYP1A2

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 2 patents. 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
US-11730712-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) 2023-08-22 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 (2 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 99/4885TBXAS1 3787/4885
US-11730712-B2 Functionalized long-chain hydrocarbon mono- and di-carboxylic acids and derivatives thereof, and their use for the prevention or treatment of disease CPT1A, PPARG, PC LTB4R 1119/4885PPARA 8/4885TBXAS1 2290/4885

“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.