SCHEMBL21991937

SCHEMBL21991937

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PARP15 Q460N3 1/20 0.38
PARP10 Q53GL7 1/20 0.38
HIF1A Q16665 1/20 0.38
FFAR1 O14842 3/20 0.38
GRM4 Q14833 1/20 0.37
GYS1 P13807 1/20 0.37
HCRTR2 O43614 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
SCHEMBL21991992 0.90 PARP15 (0.39) PARP15PARP10HCRTR2
SCHEMBL21992679 0.88 HIF1A (0.40) TDP1L3MBTL1PARP15PARP10HIF1A
SCHEMBL23605986 0.86 FFAR1 (0.43) PARP15PARP10FFAR1
SCHEMBL21991810 0.82 TDP1 (0.42) TDP1L3MBTL1FFAR1GRM4
SCHEMBL21991332 0.81 CYP2C9 (0.46) TDP1L3MBTL1
SCHEMBL21991929 0.80 MAPT (0.40)
SCHEMBL23605941 0.79 POLB (0.44) TDP1L3MBTL1GRM4
SCHEMBL21992706 0.77 CYP1A2 (0.49) TDP1
SCHEMBL21991801 0.77 PDE3B (0.42) L3MBTL1PARP15PARP10HIF1AFFAR1
SCHEMBL21992716 0.76 MTNR1B (0.36)

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 1170/4885PARP15 1242/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 TDP1 1445/4885L3MBTL1 1170/4885PARP15 1242/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 TDP1 1445/4885L3MBTL1 1170/4885PARP15 1242/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 TDP1 1445/4885L3MBTL1 1170/4885PARP15 1242/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 TDP1 1445/4885L3MBTL1 1170/4885PARP15 1242/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 TDP1 1445/4885L3MBTL1 1170/4885PARP15 1242/4885

“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.