SCHEMBL21991935

SCHEMBL21991935

CCOC(=O)C(C)(C)CCOc1ccc(F)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.41
CNR2 P34972 2/20 0.39
TSHR P16473 2/20 0.39
ABCB11 O95342 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR2A P28223 1/20 0.39
PMP22 Q01453 1/20 0.39
PPARA Q07869 1/20 0.39
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PARP15 Q460N3 1/20 0.37
PARP10 Q53GL7 1/20 0.37
FKBP1A P62942 1/20 0.37

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
SCHEMBL21991947 0.89 BACE1 (0.41) PARP15PARP10
SCHEMBL21991301 0.88 CYP1A2 (0.41) FBP1CNR2TSHRABCB11CYP1A2
SCHEMBL21991944 0.85 PPARA (0.49) TSHRCYP1A2PPARAFFAR4TDP1
SCHEMBL21991994 0.84 HCRTR2 (0.39) TSHRABCB11CYP1A2CYP3A4HTR2A
SCHEMBL21991979 0.82 PPARA (0.50) TSHRABCB11CYP1A2CYP3A4HTR2A
SCHEMBL21991575 0.80 CYP1A2 (0.45) TSHRABCB11CYP1A2CYP3A4HTR2A
SCHEMBL21992545 0.80 BRD4 (0.45) FFAR1FFAR4
SCHEMBL21991238 0.80 PPARA (0.59) FBP1CNR2TSHRABCB11CYP1A2
SCHEMBL21991986 0.78 PPARA (0.60) TSHRABCB11CYP1A2CYP3A4HTR2A
SCHEMBL23605917 0.77 GAA (0.52) TSHRCYP1A2CYP3A4PPARAALDH1A1

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 FBP1 2540/4885CNR2 1711/4885TSHR 3214/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 FBP1 2540/4885CNR2 1711/4885TSHR 3214/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 FBP1 2540/4885CNR2 1711/4885TSHR 3214/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 FBP1 2540/4885CNR2 1711/4885TSHR 3214/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 FBP1 2540/4885CNR2 1711/4885TSHR 3214/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 FBP1 2540/4885CNR2 1711/4885TSHR 3214/4885

“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.