SCHEMBL4035951

SCHEMBL4035951

CC(C)(C)c1ccc(CNc2cccc(Oc3ccccc3)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 5/20 0.59
FFAR1 O14842 6/20 0.50
MAOB P27338 1/20 0.50
PPARA Q07869 1/20 0.48
FAAH O00519 1/20 0.47
GNA15 P30679 1/20 0.47
PTGER3 P43115 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
BCHE P06276 1/20 0.46
ACHE P22303 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
SCHEMBL6690731 0.83 CA1 (0.54) MAOBPPARA
SCHEMBL18639194 0.82 CACNA1B (0.65) CACNA1BFFAR1PPARAGNA15PTGER3
SCHEMBL7995375 0.82 CA1 (0.59) FFAR1MAOBHTT
SCHEMBL15474248 0.80 CACNA1B (0.62) CACNA1BFFAR1FAAHGNA15PTGER3
SCHEMBL5178370 0.80 FFAR1 (0.58) CACNA1BFFAR1GNA15PTGER3FFAR4
SCHEMBL30679029 0.77 HTT (0.49) FFAR1HTT
SCHEMBL12957071 0.77 HTT (0.49) FFAR1HTT
SCHEMBL15472298 0.77 FFAR1 (0.59) CACNA1BFFAR1PPARAKDM4EALDH1A1
SCHEMBL1241386 0.77 CA1 (0.48) FFAR1MAOBPPARAFFAR4SMN1; SMN2
SCHEMBL13676154 0.76 RAB9A (0.65) FFAR1FAAHALDH1A1HTTSMN1; 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 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 CACNA1B 4598/4885FFAR1 310/4885MAOB 862/4885

“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.