SCHEMBL20845532

SCHEMBL20845532

CSc1cc(-c2ccc(-c3cc(C(=O)O)nn3CC(C)C)cc2)ccc1CO

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.54
MARS1 P56192 7/20 0.42
MDM2 Q00987 6/20 0.41
MCL1 Q07820 5/20 0.41
BCL2 P10415 4/20 0.37
SMPD1 P17405 1/20 0.35
RPA1 P27694 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MALT1 Q9UDY8 1/20 0.34

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
SCHEMBL21887741 0.84 NR1H2 (0.47) NR1H2SMPD1MALT1
SCHEMBL16553554 0.82 NR1H2 (0.77) NR1H2MARS1MDM2MCL1BCL2
SCHEMBL20575099 0.78 NR1H2 (0.37) NR1H2
SCHEMBL17943738 0.77 NR1H2 (0.71) NR1H2MARS1MDM2MCL1BCL2
SCHEMBL17943746 0.77 NR1H2 (0.58) NR1H2MARS1MDM2MCL1BCL2
SCHEMBL16553537 0.73 NR1H2 (0.79) NR1H2MARS1MDM2MCL1
SCHEMBL16553481 0.72 NR1H2 (0.58) NR1H2MARS1MDM2MCL1BCL2
SCHEMBL16566131 0.71 NR1H2 (0.73) NR1H2MARS1
SCHEMBL25880809 0.71 NR1H2 (0.41) NR1H2
SCHEMBL16566090 0.70 NR1H2 (1.00) NR1H2

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-10246419-B2 Liver X receptor (LXR) modulators RALEXAR THERAPEUTICS, INC. (US) 2019-04-02 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-10246419-B2 Liver X receptor (LXR) modulators NR1H2, NR1H3, NR1H4 NR1H2 1/4885MARS1 2842/4885MDM2 4638/4885

“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.