SCHEMBL26063014

SCHEMBL26063014

CCC(C)(C)CCCCCc1cccc(CCCCC(C)(C)C)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.44
GABRB2 P47870 2/20 0.44
ALOX5 P09917 1/20 0.42
PTGS2 P35354 1/20 0.42
ELANE P08246 4/20 0.37
CTSG P08311 3/20 0.37
TYR P14679 1/20 0.37
BID P55957 3/20 0.37
MCL1 Q07820 3/20 0.37
BCL2L1 Q07817 2/20 0.37
BAK1 Q16611 2/20 0.37
KAT8 Q9H7Z6 2/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
EP300 Q09472 1/20 0.37
KAT2A Q92830 1/20 0.37
KAT2B Q92831 1/20 0.37
KAT5 Q92993 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
LIPG Q9Y5X9 1/20 0.36

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
SCHEMBL25998385 1.00 GABRA1 (0.44) GABRA1GABRB2ALOX5PTGS2ELANE
SCHEMBL25998492 1.00 GABRA1 (0.44) GABRA1GABRB2ALOX5PTGS2ELANE
SCHEMBL25998048 0.98 GABRA1 (0.46) GABRA1GABRB2ALOX5PTGS2ELANE
SCHEMBL25997549 0.90 TYR (0.42) GABRA1GABRB2ALOX5PTGS2ELANE
SCHEMBL25995220 0.90 GABRA1 (0.48) GABRA1GABRB2ALOX5PTGS2ELANE
SCHEMBL25995234 0.90 GABRA1 (0.48) GABRA1GABRB2ALOX5PTGS2ELANE
SCHEMBL25995260 0.90 GABRA1 (0.48) GABRA1GABRB2ALOX5PTGS2ELANE
SCHEMBL25995245 0.90 GABRA1 (0.48) GABRA1GABRB2ALOX5PTGS2ELANE
SCHEMBL35793 0.88 GABRA1 (0.50) GABRA1GABRB2ALOX5PTGS2ELANE
SCHEMBL25998318 0.88 GABRA1 (0.42) GABRA1GABRB2ALOX5PTGS2ELANE

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 GABRA1 729/4885GABRB2 945/4885ALOX5 175/4885

“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.