SCHEMBL21991810

SCHEMBL21991810

COc1cc(OC(C)C(C)C(=O)OC(C)C)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CHRM5 P08912 1/20 0.37
GRM4 Q14833 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
FFAR1 O14842 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
SCHEMBL21992574 0.89 MEN1 (0.41) GRM4MEN1GAAMAPTKMT2A
SCHEMBL23605941 0.86 POLB (0.44) TDP1L3MBTL1GRM4MEN1GAA
SCHEMBL21991269 0.85 TAS2R14 (0.38)
SCHEMBL21991268 0.84 APP (0.44) MEN1GAAMAPTKMT2ANPC1
SCHEMBL21991937 0.82 TDP1 (0.39) TDP1L3MBTL1GRM4FFAR1
SCHEMBL21992559 0.81 HPGD (0.50) TDP1L3MBTL1KMT2ANPC1CYP1A2
SCHEMBL21992716 0.80 MTNR1B (0.36)
SCHEMBL21991808 0.79 ALDH1A1 (0.47) TDP1L3MBTL1MAPTKMT2ASMN1; SMN2
SCHEMBL24305884 0.78 CA12 (0.42) CHRM5GRM4MEN1GAAMAPT
SCHEMBL21991241 0.78 GRM4 (0.39) TDP1L3MBTL1GRM4MEN1GAA

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 TDP1 1445/4885L3MBTL1 1170/4885CHRM5 2922/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 TDP1 1445/4885L3MBTL1 1170/4885CHRM5 2922/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 TDP1 1445/4885L3MBTL1 1170/4885CHRM5 2922/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 TDP1 1445/4885L3MBTL1 1170/4885CHRM5 2922/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 TDP1 1445/4885L3MBTL1 1170/4885CHRM5 2922/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 TDP1 1445/4885L3MBTL1 1170/4885CHRM5 2922/4885

“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.