SCHEMBL21992001

SCHEMBL21992001

Cc1ccc(C)c(OCCC(C)(C)C(=O)O)c1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.86
TSHR P16473 3/20 0.86
CYP2C9 P11712 2/20 0.86
CYP2C8 P10632 2/20 0.86
SMN1; SMN2 Q16637 2/20 0.86
TDP1 Q9NUW8 2/20 0.86
TTR P02766 1/20 0.86
CYP1A2 P05177 1/20 0.86
CHRM1 P11229 1/20 0.86
ADRA1A P35348 1/20 0.86
PPARG P37231 1/20 0.86
HTR2B P41595 1/20 0.86
SLCO1B3 Q9NPD5 1/20 0.86
CISD1 Q9NZ45 1/20 0.86
SLCO1B1 Q9Y6L6 1/20 0.86
HTT P42858 2/20 0.51
GUCY1A1 Q02108 1/20 0.51
GUCY1B1 Q02153 1/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51

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
Gemfibrozil SCHEMBL1880616 0.93 PPARA (1.00) PPARATSHRCYP2C9CYP2C8SMN1; SMN2
Gemfibrozil SCHEMBL29398115 0.93 PPARA (1.00) PPARATSHRCYP2C9CYP2C8SMN1; SMN2
Gemfibrozil SCHEMBL4813 0.93 PPARA (1.00) PPARATSHRCYP2C9CYP2C8SMN1; SMN2
Gemfibrozil SCHEMBL20770039 0.93 PPARA (1.00) PPARATSHRCYP2C9CYP2C8SMN1; SMN2
Gemfibrozil SCHEMBL10542601 0.91 PPARA (0.97) PPARATSHRCYP2C9CYP2C8SMN1; SMN2
Gemfibrozil SCHEMBL21052128 0.91 PPARA (0.97) PPARATSHRCYP2C9CYP2C8SMN1; SMN2
Gemfibrozil SCHEMBL457931 0.91 PPARA (0.97) PPARATSHRCYP2C9CYP2C8SMN1; SMN2
Gemfibrozil SCHEMBL6033508 0.88 PPARA (0.90) PPARATSHRCYP2C9CYP2C8SMN1; SMN2
SCHEMBL21991936 0.85 PPARA (0.64) PPARATSHRCYP2C9CYP2C8SMN1; SMN2
SCHEMBL21991307 0.84 CYP2C9 (1.00) PPARATSHRCYP2C9CYP2C8SMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023174941-A1 FIBRATE COMPOSITIONS FOR TREATING INFLAMMATION AND NEUROINFLAMMATION TRx Biosciences Limited (GB) 2023-09-21 WO disclosed
US-20220409566-A1 CCL5 Inhibitors LAPKO INC, dba AFECTA PHARMACEUTICALS 2022-12-29 US disclosed
US-20220142961-A1 CCL5 Inhibitors LAPKO INC, dba AFECTA PHARMACEUTICALS 2022-05-12 US disclosed
US-11318111-B2 CCL5 inhibitors LAPKO INC (US) 2022-05-03 US disclosed
US-20210196665-A1 CCL5 Inhibitors AFECTA PHARMACEUTICALS, INC. (US) 2021-07-01 US disclosed
US-10940132-B2 CCL5 inhibitors AFECTA PHARMACEUTICALS, INC. (US) 2021-03-09 US disclosed
US-20200138766-A1 CCL5 INHIBITORS LAPKO INC. DBA AFECTA PHARMACEUTICALS 2020-05-07 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 (6 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-20220142961-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 PPARA 806/4885TSHR 3214/4885CYP2C9 1183/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 PPARA 806/4885TSHR 3214/4885CYP2C9 1183/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 PPARA 806/4885TSHR 3214/4885CYP2C9 1183/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 PPARA 806/4885TSHR 3214/4885CYP2C9 1183/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 PPARA 806/4885TSHR 3214/4885CYP2C9 1183/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 PPARA 806/4885TSHR 3214/4885CYP2C9 1183/4885

“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.