SCHEMBL25219752

SCHEMBL25219752

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
TRPV1 Q8NER1 3/20 0.42
KIF11 P52732 2/20 0.41
PPARA Q07869 5/20 0.40
PPARD Q03181 3/20 0.40
PPARG P37231 1/20 0.40
MAOB P27338 2/20 0.40
CYP1A1 P04798 2/20 0.40
CYP1B1 Q16678 2/20 0.40
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL9035012 0.83 CA1 (0.47) CA1CA2CA9TRPV1MAOB
SCHEMBL9165045 0.82 NFE2L2 (0.39) TRPV1PPARAALDH1A1
SCHEMBL6209961 0.80 ALDH1A1 (0.46) KIF11PPARAPPARGMAOBCES2
SCHEMBL11515786 0.79 CA1 (0.37) CA1CA2CA9TRPV1KIF11
SCHEMBL13802159 0.79 ACHE (0.41) CA1CA2CA9PPARAALDH1A1
SCHEMBL9035478 0.79 ALDH1A1 (0.50) CA1CA2CA9CES2CES1
SCHEMBL19477800 0.79 CA1 (0.45) CA1CA2CA9TRPV1KIF11
SCHEMBL11887280 0.79 CA1 (0.45) CA1CA2CA9TRPV1KIF11
SCHEMBL3496791 0.78 PPARA (0.53) PPARAPPARDPPARGALDH1A1
SCHEMBL1889507 0.78 MEN1 (0.39) CA1CA2CA9PPARAPPARD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240400579-A1 SPIROCYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION GENENTECH, INC. 2024-12-05 US disclosed
EP-4436976-A1 SPIROCYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION Genentech, Inc. (US) 2024-10-02 EP disclosed
CN-118510783-A Spiro modulators of cholesterol biosynthesis and their use for promoting remyelination 基因泰克公司 2024-08-16 CN disclosed
WO-2023097234-A1 SPIROCYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION GENENTECH, INC. (US) 2023-06-01 WO disclosed
WO-2023097234-A1 SPIROCYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION GENENTECH, INC. (US) 2023-06-01 WO 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 (1 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-20240400579-A1 SPIROCYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION MAG, NR1H2, PMP22 CA1 3672/4885CA2 4313/4885CA9 4829/4885

“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.