SCHEMBL21992736

SCHEMBL21992736

CCOC(=O)C(C)(C)CCOc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.50
CYP1A1 P04798 2/20 0.46
CYP1B1 Q16678 2/20 0.46
MAOB P27338 2/20 0.45
LTA4H P09960 1/20 0.44
CACNA1B Q00975 2/20 0.42
MMP14 P50281 1/20 0.42
ALDH1A1 P00352 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PPARD Q03181 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CACNA1H O95180 1/20 0.40

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
SCHEMBL21991924 0.96 PPARA (0.53) PPARACYP1A1CYP1B1MAOBALDH1A1
SCHEMBL21991982 0.89 MAOB (0.56) PPARAMAOB
SCHEMBL21992730 0.87 PPARA (0.52) PPARACYP1A1CYP1B1MAOBLTA4H
SCHEMBL21992674 0.87 NPC1 (0.48) PPARACYP1A1CYP1B1MAOBLTA4H
SCHEMBL21991360 0.84 PPARA (0.56) PPARAMAOBLTA4HALDH1A1NPC1
SCHEMBL21991948 0.84 PPARA (0.68) PPARACYP1A1CYP1B1MAOBLTA4H
SCHEMBL21991599 0.84 PPARA (0.49) PPARACYP1A1CYP1B1MAOBLTA4H
SCHEMBL21991575 0.82 CYP1A2 (0.45) PPARAMAOBSMN1; SMN2LMNAMAPT
SCHEMBL21991339 0.82 PPARA (0.55) PPARACYP1A1CYP1B1MAOBALDH1A1
SCHEMBL21991304 0.82 NPC1 (0.51) PPARACYP1A1CYP1B1MAOBALDH1A1

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 PPARA 806/4885CYP1A1 2333/4885CYP1B1 2142/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 PPARA 806/4885CYP1A1 2333/4885CYP1B1 2142/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 PPARA 806/4885CYP1A1 2333/4885CYP1B1 2142/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 PPARA 806/4885CYP1A1 2333/4885CYP1B1 2142/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 PPARA 806/4885CYP1A1 2333/4885CYP1B1 2142/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 PPARA 806/4885CYP1A1 2333/4885CYP1B1 2142/4885

“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.