SCHEMBL21991349

SCHEMBL21991349

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.55
CYP2C9 P11712 2/20 0.52
KEAP1 Q14145 3/20 0.50
NFE2L2 Q16236 3/20 0.50
TDP1 Q9NUW8 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TTR P02766 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C8 P10632 1/20 0.49
CHRM1 P11229 1/20 0.49
ADRA1A P35348 1/20 0.49
PPARG P37231 1/20 0.49
HTR2B P41595 1/20 0.49
PPARA Q07869 1/20 0.49
SLCO1B3 Q9NPD5 1/20 0.49
CISD1 Q9NZ45 1/20 0.49
SLCO1B1 Q9Y6L6 1/20 0.49
HTT P42858 3/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.46

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
SCHEMBL21991995 0.85 SMN1; SMN2 (0.51) TSHRCYP2C9KEAP1NFE2L2TDP1
SCHEMBL21992000 0.85 TSHR (0.49) TSHRCYP2C9KEAP1NFE2L2TDP1
SCHEMBL21991588 0.84 TSHR (0.48) TSHRCYP2C9KEAP1NFE2L2TDP1
SCHEMBL19121175 0.80 TSHR (0.47) TSHRCYP2C9TDP1SMN1; SMN2TTR
SCHEMBL9012154 0.79 CYP2C9 (0.57) TSHRCYP2C9TDP1SMN1; SMN2TTR
SCHEMBL1158620 0.77 ADRB2 (0.54) TSHRCYP2C9TDP1SMN1; SMN2TTR
SCHEMBL13475539 0.77 TSHR (0.50) TSHRCYP2C9KEAP1NFE2L2TDP1
SCHEMBL8193683 0.77 TSHR (0.52) TSHRCYP2C9KEAP1NFE2L2TDP1
SCHEMBL21991511 0.76 TSHR (0.47) TSHRCYP2C9KEAP1NFE2L2TDP1
SCHEMBL25154981 0.75 ADRB2 (0.55) TSHRCYP2C9TDP1SMN1; SMN2TTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TSHR 3214/4885CYP2C9 1183/4885KEAP1 4037/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 TSHR 3214/4885CYP2C9 1183/4885KEAP1 4037/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 TSHR 3214/4885CYP2C9 1183/4885KEAP1 4037/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 TSHR 3214/4885CYP2C9 1183/4885KEAP1 4037/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 TSHR 3214/4885CYP2C9 1183/4885KEAP1 4037/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 TSHR 3214/4885CYP2C9 1183/4885KEAP1 4037/4885

“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.