SCHEMBL21991301

SCHEMBL21991301

CCOC(=O)C(C)(C)COc1ccc(F)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
ABCB11 O95342 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
HTR2A P28223 1/20 0.41
PMP22 Q01453 1/20 0.41
PPARA Q07869 1/20 0.41
CNR2 P34972 3/20 0.41
FBP1 P09467 1/20 0.40
DGAT1 O75907 1/20 0.40
PARP15 Q460N3 1/20 0.39
PARP10 Q53GL7 1/20 0.39
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38

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
SCHEMBL21991907 0.88 CYP1A2 (0.43) CYP1A2DGAT1PARP15PARP10CYP2C9
SCHEMBL21991935 0.88 FBP1 (0.41) CYP1A2ABCB11CYP3A4TSHRHTR2A
SCHEMBL21991305 0.84 DGAT1 (0.49) CYP3A4DGAT1PARP15PARP10CYP2C9
SCHEMBL21991917 0.84 DGAT1 (0.39) CYP1A2ABCB11CYP3A4TSHRHTR2A
SCHEMBL21991238 0.82 PPARA (0.59) CYP1A2ABCB11CYP3A4TSHRHTR2A
SCHEMBL21991889 0.81 ALDH1A1 (0.48) CYP1A2ABCB11CYP3A4TSHRHTR2A
SCHEMBL21991884 0.79 SSTR4 (0.48) CYP1A2ABCB11CYP3A4TSHRHTR2A
SCHEMBL23605917 0.79 GAA (0.52) CYP1A2CYP3A4TSHRPPARACYP2C9
SCHEMBL21991541 0.76 PPARA (0.63) CYP1A2ABCB11CYP3A4TSHRHTR2A
SCHEMBL21992545 0.76 BRD4 (0.45)

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 CYP1A2 2919/4885ABCB11 404/4885CYP3A4 681/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 CYP1A2 2919/4885ABCB11 404/4885CYP3A4 681/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 CYP1A2 2919/4885ABCB11 404/4885CYP3A4 681/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 CYP1A2 2919/4885ABCB11 404/4885CYP3A4 681/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 CYP1A2 2919/4885ABCB11 404/4885CYP3A4 681/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 CYP1A2 2919/4885ABCB11 404/4885CYP3A4 681/4885

“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.