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SCHEMBL21992547

SCHEMBL21992547

CC(C)OC(=O)CC(C)(C)Oc1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 3/20 0.43
▸ PPARA Q07869 8/20 0.40
▸ PPARD Q03181 5/20 0.40
▸ PPARG P37231 4/20 0.40
▸ MAOB P27338 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ CNR1 P21554 2/20 0.38
▸ KIF11 P52732 1/20 0.38
▸ CYP1A1 P04798 1/20 0.38
▸ CYP1B1 Q16678 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ ABCB11 O95342 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ ADRB3 P13945 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
SCHEMBL21991876 0.96 TRPV1 (0.40) TRPV1PPARAPPARDPPARGMAOB
SCHEMBL21992632 0.90 MAOB (0.55) PPARAPPARDPPARGMAOB
SCHEMBL21991245 0.85 MAPT (0.47) PPARAPPARGALDH1A1CNR1MAPT
SCHEMBL23605978 0.84 MAPT (0.40) PPARAPPARGALDH1A1CNR1MAPT
SCHEMBL21991505 0.84 CYP1A2 (0.46) PPARAPPARGALDH1A1CNR1MAPT
SCHEMBL21991828 0.84 TRPV1 (0.46) TRPV1PPARAPPARDPPARGMAOB
SCHEMBL21991811 0.82 MAPT (0.42) PPARAPPARDPPARGALDH1A1CNR1
SCHEMBL21992542 0.82 PPARA (0.55) PPARAPPARGALDH1A1CNR1MAPT
SCHEMBL21992549 0.81 POLB (0.48) TRPV1PPARAPPARDPPARGMAOB
SCHEMBL21992551 0.80 PPARA (0.47) TRPV1PPARAPPARDPPARGMAOB

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 TRPV1 1213/4885PPARA 806/4885PPARD 760/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 TRPV1 1213/4885PPARA 806/4885PPARD 760/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 TRPV1 1213/4885PPARA 806/4885PPARD 760/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 TRPV1 1213/4885PPARA 806/4885PPARD 760/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 TRPV1 1213/4885PPARA 806/4885PPARD 760/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 TRPV1 1213/4885PPARA 806/4885PPARD 760/4885

“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.