SCHEMBL29900950

SCHEMBL29900950

COC(=O)/C=C/c1cccc(NCC23CCC(c4ccc(OC)cc4)(CC2)CC3)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 9/20 0.59
THRB P10828 1/20 0.44
HTT P42858 1/20 0.44
MAOB P27338 1/20 0.43
MMP1 P03956 2/20 0.43
MMP2 P08253 2/20 0.43
MMP9 P14780 2/20 0.43
HDAC4 P56524 1/20 0.42
MEF2D Q14814 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
SNCA P37840 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL22350237 1.00 NR1H4 (0.59) NR1H4THRBHTTMAOBMMP1
SCHEMBL22347817 0.92 THRB (0.53) NR1H4THRBHTTMAOBMMP1
SCHEMBL22350200 0.91 NR1H4 (0.48) NR1H4THRBMMP1MMP2MMP9
SCHEMBL29901055 0.91 NR1H4 (0.48) NR1H4THRBMMP1MMP2MMP9
SCHEMBL22350273 0.90 NR1H4 (0.48) NR1H4HTTMAOBHDAC4MEF2D
SCHEMBL22350244 0.88 NR1H4 (0.49) NR1H4HTTHDAC4MEF2DSIRT2
SCHEMBL29900977 0.88 NR1H4 (0.49) NR1H4HTTHDAC4MEF2DSIRT2
SCHEMBL22350222 0.87 NR1H4 (0.62) NR1H4THRBHDAC4MEF2DSIRT2
SCHEMBL22347536 0.87 NR1H4 (0.47) NR1H4THRBHTTMAOBMMP1
SCHEMBL22350402 0.81 NR1H4 (0.42) NR1H4HTTTDP1MEN1KMT2A

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-12030835-B2 Substituted amide compounds useful as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-09 US disclosed
US-20220213026-A1 SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-07-07 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-20220213026-A1 SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 NR1H4 2/4885THRB 59/4885HTT 4821/4885
US-12030835-B2 Substituted amide compounds useful as farnesoid X receptor modulators FXR1, NR1H4, FXR2 NR1H4 2/4885THRB 59/4885HTT 4821/4885

“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.