SCHEMBL23502468

SCHEMBL23502468

CCCCCCC(C)(CCCCCC)c1cccc2ncc(C(C)(CCC)CCCCC)nc12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 6/20 0.39
▸ TLR8 Q9NR97 4/20 0.34
▸ KCNH2 Q12809 4/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ GPBAR1 Q8TDU6 1/20 0.30
▸ S1PR2 O95136 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ NPSR1 Q6W5P4 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
SCHEMBL20047631 0.89 TLR7 (0.36) TLR7TLR8KCNH2SMN1; SMN2KDM4E
SCHEMBL20047543 0.81 — —
SCHEMBL21236222 0.74 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1MAPTL3MBTL1
SCHEMBL25101222 0.73 TSHR (0.44) TLR7TLR8SMN1; SMN2KDM4ENPC1
SCHEMBL20047581 0.73 TLR8 (0.32) TLR7TLR8KCNH2
SCHEMBL20047567 0.72 CNR2 (0.35) TLR7TLR8KCNH2KDM4EMAPT
SCHEMBL23502460 0.72 TLR8 (0.35) TLR7TLR8KCNH2KDM4EALDH1A1
SCHEMBL25101234 0.72 TLR8 (0.40) TLR7TLR8SMN1; SMN2KDM4EALDH1A1
SCHEMBL23502540 0.71 CNR2 (0.34) KCNH2KDM4EALDH1A1
SCHEMBL23502537 0.71 CNR2 (0.34) KCNH2KDM4EALDH1A1

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 TLR7 491/4885TLR8 901/4885KCNH2 4528/4885

“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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