SCHEMBL23502592

SCHEMBL23502592

CCCCCCCC(C)(CCCCCCC)c1cnc2cc(C(C)(CCCC)CCCCC)cc(OC)c2n1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 19/20 0.41
▸ CNR1 P21554 15/20 0.39
▸ GPR55 Q9Y2T6 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ACAT1 P24752 1/20 0.33
▸ SOAT1 P35610 1/20 0.33

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
SCHEMBL23502551 0.93 CNR2 (0.38) CNR2CNR1GPR55KDM4ETP53
SCHEMBL20047666 0.93 CNR2 (0.45) CNR2CNR1
SCHEMBL20047612 0.93 CNR2 (0.45) CNR2CNR1
SCHEMBL23502431 0.92 CNR2 (0.34) CNR2CNR1
SCHEMBL20047720 0.88 CNR2 (0.36) CNR2CNR1
SCHEMBL20047682 0.85 CNR2 (0.37) CNR2CNR1
SCHEMBL23502571 0.82 TLR7 (0.32) CNR2
SCHEMBL20047607 0.81 CNR2 (0.36) CNR2CNR1
SCHEMBL20047602 0.79 CNR2 (0.33) CNR2CNR1
SCHEMBL21161526 0.78 CNR2 (0.38) CNR2CNR1

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 CNR2 485/4885CNR1 410/4885GPR55 84/4885

“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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