SCHEMBL25995262

SCHEMBL25995262

CC(C)(C)CCCCCCc1cc(O)cc(CCCCCCC(C)(C)C)c1O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.47
ALOX5 P09917 5/20 0.47
TYR P14679 3/20 0.37
CYP3A4 P08684 2/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CBS P35520 1/20 0.35
HTR1A P08908 2/20 0.33
HTR1B P28222 2/20 0.33
HTR1D P28221 1/20 0.33
CYP2C19 P33261 1/20 0.32

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
SCHEMBL25995249 1.00 PTGS2 (0.47) PTGS2ALOX5TYRCYP3A4MEN1
SCHEMBL25995224 1.00 PTGS2 (0.47) PTGS2ALOX5TYRCYP3A4MEN1
SCHEMBL25995237 1.00 PTGS2 (0.47) PTGS2ALOX5TYRCYP3A4MEN1
SCHEMBL25995192 0.98 ALOX5 (0.46) PTGS2ALOX5TYRCYP3A4MEN1
SCHEMBL25995157 0.92 ALOX5 (0.43) PTGS2ALOX5TYRCYP3A4MEN1
SCHEMBL25998512 0.90 PTGS2 (0.44) PTGS2ALOX5TYRCYP3A4MEN1
SCHEMBL25998271 0.90 PTGS2 (0.44) PTGS2ALOX5TYRCYP3A4MEN1
SCHEMBL25998413 0.90 PTGS2 (0.44) PTGS2ALOX5TYRCYP3A4MEN1
SCHEMBL25995229 0.86 ALOX5 (0.38) PTGS2ALOX5TYRCYP3A4MEN1
SCHEMBL25995240 0.86 ALOX5 (0.38) PTGS2ALOX5TYRCYP3A4MEN1

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 4 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-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
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 PTGS2 1640/4885ALOX5 175/4885TYR 3951/4885
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 PTGS2 958/4885ALOX5 407/4885TYR 3915/4885

“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.