SCHEMBL3939264

SCHEMBL3939264

CC(C)(C)c1ccc(CC(C(N)=O)c2cccc(Cl)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.49
ADRB1 P08588 3/20 0.42
ADRB3 P13945 3/20 0.42
ADRB2 P07550 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ADCY6 O43306 1/20 0.41
ADCY3 O60266 1/20 0.41
ADCY9 O60503 1/20 0.41
ADCY5 O95622 1/20 0.41
ADCY8 P40145 1/20 0.41
GCGR P47871 1/20 0.41
ADCY7 P51828 1/20 0.41
ADCY2 Q08462 1/20 0.41
ADCY1 Q08828 1/20 0.41
ADCY4 Q8NFM4 1/20 0.41
F9 P00740 1/20 0.40
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL5177167 0.86 EPHX1 (0.50) EPHX1F9
SCHEMBL5178070 0.85 EPHX1 (0.49) EPHX1F9
SCHEMBL3942501 0.84 EPHX1 (0.50) EPHX1KMT2AMEN1ADCY6ADCY3
SCHEMBL28605536 0.84 EPHX1 (0.71) EPHX1ADRB3KMT2AMEN1LMNA
SCHEMBL29610281 0.84 EPHX1 (0.71) EPHX1ADRB3KMT2AMEN1LMNA
SCHEMBL3235993 0.84 EPHX1 (0.48) EPHX1
SCHEMBL3277794 0.83 EPHX1 (0.43) EPHX1ADCY6ADCY3ADCY9ADCY5
SCHEMBL5177355 0.82 L3MBTL1 (0.49) EPHX1KMT2AMEN1NPC1LMNA
SCHEMBL3276785 0.82 ICMT (0.48) EPHX1KMT2AMEN1ADCY6ADCY3
Hydrochloric Acid SCHEMBL3950180 0.82 EPHX1 (0.42) EPHX1ADCY6ADCY3ADCY9ADCY5

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 10 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
EP-2049493-A2 COMPOUNDS SUITABLE AS MODULATORS OF HDL Cadila Healthcare Limited (IN) 2009-04-22 EP claimed
WO-2008059513-A2 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2008-05-22 WO 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
US-7259183-B2 Indole, indazole and indoline derivatives as CETP inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-08-21 US disclosed
EP-1776338-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-04-25 EP disclosed
US-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 US disclosed
WO-2006013048-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-02-09 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 (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-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors CETP, NAT1, MTTP EPHX1 2381/4885ADRB1 66/4885ADRB3 68/4885
US-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CETP, APOB, HDLBP EPHX1 1260/4885ADRB1 93/4885ADRB3 140/4885

“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.