SCHEMBL21992472

SCHEMBL21992472

CCCCC(Oc1cc(C)ccc1C)C(=O)OC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
SMN1; SMN2 Q16637 4/20 0.38
CYP2C9 P11712 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
TTR P02766 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C8 P10632 1/20 0.38
CHRM1 P11229 1/20 0.38
ADRA1A P35348 1/20 0.38
PPARG P37231 1/20 0.38
HTR2B P41595 1/20 0.38
PPARA Q07869 1/20 0.38
SLCO1B3 Q9NPD5 1/20 0.38
CISD1 Q9NZ45 1/20 0.38
SLCO1B1 Q9Y6L6 1/20 0.38
HTT P42858 3/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL24419053 0.88 TSHR (0.44) TSHRSMN1; SMN2CYP2C9TDP1TTR
SCHEMBL23605890 0.87 TAS1R3 (0.44) TSHRSMN1; SMN2CYP2C9TDP1TTR
SCHEMBL24418979 0.84 TSHR (0.49) TSHRSMN1; SMN2CYP2C9TDP1TTR
SCHEMBL21991786 0.78 TSHR (0.43) TSHRSMN1; SMN2CYP2C9TDP1TTR
SCHEMBL22542389 0.76 SMN1; SMN2 (0.43) SMN1; SMN2CYP2C9CYP1A2PPARGPPARA
SCHEMBL21991273 0.75 HTT (0.42) TSHRSMN1; SMN2CYP2C9TDP1TTR
SCHEMBL10051619 0.74 TAS1R3 (0.40) TSHRSMN1; SMN2CYP2C9CYP1A2LMNA
SCHEMBL22542338 0.74 ALDH2 (0.49) SMN1; SMN2TDP1PPARGPPARAL3MBTL1
SCHEMBL28596839 0.73 PPARG (0.39) PPARGPPARAALDH1A1L3MBTL1KMT2A
SCHEMBL21991470 0.73 MMP1 (0.44) SMN1; SMN2CYP2C9TDP1CYP1A2PPARG

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 3214/4885SMN1; SMN2 3122/4885CYP2C9 1183/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 TSHR 3214/4885SMN1; SMN2 3122/4885CYP2C9 1183/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 TSHR 3214/4885SMN1; SMN2 3122/4885CYP2C9 1183/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 TSHR 3214/4885SMN1; SMN2 3122/4885CYP2C9 1183/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 TSHR 3214/4885SMN1; SMN2 3122/4885CYP2C9 1183/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 TSHR 3214/4885SMN1; SMN2 3122/4885CYP2C9 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.