SCHEMBL20047608

SCHEMBL20047608

CCCCCCCC(C)(C)c1cnc2cc(C(C)(CCCC)CCCCCCC)c(OC)cc2n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 16/20 0.38
▸ CNR1 P21554 12/20 0.37
▸ MAPT P10636 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ ACAT1 P24752 1/20 0.32
▸ SOAT1 P35610 1/20 0.32
▸ PDGFRB P09619 2/20 0.32
▸ PDGFRA P16234 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL23502568 0.85 CNR2 (0.34) CNR2CNR1MAPTKDM4ETP53
SCHEMBL20047623 0.85 CNR2 (0.36) CNR2CNR1MAPTKDM4ETP53
SCHEMBL20047579 0.84 CNR1 (0.31) CNR2CNR1
SCHEMBL19803340 0.81 CNR2 (0.42) CNR2CNR1MAPTKDM4ETP53
SCHEMBL20047612 0.79 CNR2 (0.45) CNR2CNR1
SCHEMBL20047666 0.79 CNR2 (0.45) CNR2CNR1
SCHEMBL20047596 0.78 ALDH1A1 (0.31) ALDH1A1
SCHEMBL20047665 0.76 CNR2 (0.39) CNR2CNR1
SCHEMBL23502590 0.76 CNR2 (0.39) CNR2CNR1
SCHEMBL20047678 0.74 CNR2 (0.34) CNR2CNR1PDGFRBALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-10-22 — — US disclosed
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-04-12 — — 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 (2 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-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 CNR2 485/4885CNR1 410/4885MAPT 4191/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 CNR2 485/4885CNR1 410/4885MAPT 4191/4885

“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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