SCHEMBL23502452

SCHEMBL23502452

CCCCCCC(C)(CC)c1cccc2nc(C(C)(C)C)c(OCCC)nc12

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 4/20 0.34
▸ TLR7 Q9NYK1 1/20 0.32
▸ MCHR1 Q99705 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ FAAH O00519 1/20 0.30
▸ MGLL Q99685 1/20 0.30
▸ GPBAR1 Q8TDU6 1/20 0.30

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
SCHEMBL20047534 0.93 TLR8 (0.34) TLR8TLR7MCHR1KDM4EMEN1
SCHEMBL23502460 0.91 TLR8 (0.35) TLR8TLR7MCHR1KDM4EMEN1
SCHEMBL23502475 0.89 TLR8 (0.33) TLR8TLR7KDM4ETP53MAPT
SCHEMBL20047453 0.84 KDM4E (0.32) TLR8TLR7KDM4EMEN1ALDH1A1
SCHEMBL20047567 0.73 CNR2 (0.35) TLR8TLR7KDM4ETP53MAPT
SCHEMBL23502538 0.72 TLR8 (0.39) TLR8MCHR1GPBAR1
SCHEMBL23502449 0.72 NR1H2 (0.33) KDM4EMAPT
SCHEMBL23502473 0.71 TLR8 (0.33) TLR8TLR7
SCHEMBL23502478 0.69 MCHR1 (0.38) TLR8MCHR1KDM4EMAPTGPBAR1
SCHEMBL20047581 0.69 TLR8 (0.32) TLR8TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2021-06-15 — — 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 (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-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 TLR8 901/4885TLR7 491/4885MCHR1 1496/4885

“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.

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