SCHEMBL4027745

SCHEMBL4027745

CC(C)(C)c1ccc(CNCCc2ccc(O)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.62
CA2 P00918 2/20 0.62
ESRRG P62508 12/20 0.61
ESRRB O95718 5/20 0.61
LMNA P02545 1/20 0.53
TYR P14679 1/20 0.53
BCHE P06276 1/20 0.52
TMEM97 Q5BJF2 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL20902780 0.91 CA1 (0.71) CA1CA2ESRRGESRRBKMT2A
SCHEMBL3244363 0.85 CA1 (0.64) CA1CA2ESRRGESRRBLMNA
SCHEMBL3240039 0.85 GAA (0.67) CA1CA2ESRRGLMNABCHE
SCHEMBL5176818 0.83 CA1 (0.62) CA1CA2ESRRGTMEM97MEN1
SCHEMBL4575081 0.83 MTOR (0.56) CA1CA2BCHETMEM97SIGMAR1
SCHEMBL4027988 0.83 CA1 (0.62) CA1CA2ESRRGESRRBLMNA
SCHEMBL3244925 0.83 CA1 (0.62) CA1CA2ESRRGLMNABCHE
SCHEMBL3273909 0.83 L3MBTL1 (0.68) CA1CA2LMNAMEN1KMT2A
SCHEMBL5177175 0.83 CA1 (0.52) CA1CA2ESRRGESRRBBCHE
Hydrochloric Acid SCHEMBL4026088 0.82 L3MBTL1 (0.66) CA1CA2LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2009-07-02 US claimed
US-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2009-07-02 US disclosed
EP-2049493-A2 COMPOUNDS SUITABLE AS MODULATORS OF HDL Cadila Healthcare Limited (IN) 2009-04-22 EP disclosed
WO-2008059513-A2 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2008-05-22 WO 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-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CETP, APOB, HDLBP CA1 4644/4885CA2 4559/4885ESRRG 3035/4885

“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.