SCHEMBL21991601

SCHEMBL21991601

CCOC(=O)C(C)C(C)COc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 6/20 0.47
POLB P06746 1/20 0.44
MAOB P27338 2/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1B1 Q16678 1/20 0.43
PPARA Q07869 1/20 0.41
FFAR1 O14842 2/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
PPARG P37231 1/20 0.41
LTA4H P09960 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
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

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
SCHEMBL21991930 0.96 PPARD (0.49) PPARDPOLBMAOBCYP1A1CYP1B1
SCHEMBL21991963 0.89 MAOB (0.56) MAOBFFAR1PPARG
SCHEMBL21992729 0.88 ALDH1A1 (0.45) PPARDMAOBLTA4HALDH1A1
SCHEMBL21992013 0.87 MAOB (0.41) PPARDMAOBCYP1A1CYP1B1LTA4H
SCHEMBL21991962 0.85 MEN1 (0.46) PPARDMAOBCYP1A1CYP1B1PPARA
SCHEMBL21991581 0.84 ALDH1A1 (0.48) PPARDMAOBALDH1A1
SCHEMBL11760381 0.84 LTA4H (0.51) PPARDPPARAPPARGLTA4HALDH1A1
SCHEMBL21992697 0.83 MAOB (0.44) PPARDMAOBCYP1A1CYP1B1PPARA
SCHEMBL21992727 0.83 CYP1A2 (0.46) POLBPPARAPPARGMEN1KMT2A
SCHEMBL21992625 0.82 IDH1 (0.44) POLBCYP1A1CYP1B1PPARAPPARG

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 PPARD 760/4885POLB 3038/4885MAOB 3946/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 PPARD 760/4885POLB 3038/4885MAOB 3946/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 PPARD 760/4885POLB 3038/4885MAOB 3946/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 PPARD 760/4885POLB 3038/4885MAOB 3946/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 PPARD 760/4885POLB 3038/4885MAOB 3946/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 PPARD 760/4885POLB 3038/4885MAOB 3946/4885

“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.