SCHEMBL10040911

SCHEMBL10040911

CCCCOc1ccc(NC(C)C(=O)c2cccc(OCCCC)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.55
NR1H4 Q96RI1 5/20 0.54
SMPD1 P17405 3/20 0.53
PLA2G4B P0C869 1/20 0.53
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
ADRB2 P07550 2/20 0.52
KAT6A Q92794 2/20 0.51
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
USP2 O75604 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2D6 P10635 1/20 0.47

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
SCHEMBL171418 0.87 SLC2A1 (0.55) PLA2G4BKMT2AMEN1MAPTTSHR
SCHEMBL13399690 0.83 MAOB (0.59) NR1H4SMPD1KMT2AMEN1MAPT
SCHEMBL23188984 0.83 KMT2A (0.56) THRBNR1H4SMPD1PLA2G4BKMT2A
SCHEMBL12966421 0.83 KMT2A (0.56) THRBNR1H4SMPD1PLA2G4BKMT2A
SCHEMBL16221406 0.79 KMT2A (0.55) THRBNR1H4SMPD1PLA2G4BKMT2A
SCHEMBL13425401 0.79 KMT2A (0.57) THRBNR1H4SMPD1PLA2G4BKMT2A
SCHEMBL15474090 0.76 THRB (0.56) THRBNR1H4SMPD1PLA2G4BKMT2A
SCHEMBL6811204 0.76 SMPD1 (0.63) THRBNR1H4SMPD1PLA2G4BKMT2A
SCHEMBL31536904 0.76 SMPD1 (0.63) THRBNR1H4SMPD1PLA2G4BKMT2A
SCHEMBL3315904 0.75 KMT2A (0.84) NR1H4SMPD1PLA2G4BKMT2ATSHR

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
EP-2118058-B9 METHOD FOR THE PREPARATION OF 5-BENZYLOXY-2-(4-BENZYLOXPHENYL)-3-METHYL-1H-INDOLE ZENTIVA KS (CZ) 2012-03-28 EP disclosed
EP-2118058-B1 METHOD FOR THE PREPARATION OF 5-BENZYLOXY-2-(4-BENZYLOXPHENYL)-3-METHYL-1H-INDOLE ZENTIVA KS (CZ) 2011-06-08 EP disclosed
US-20100087661-A1 METHOD FOR THE PREPARATION OF 5-BENZYLOXY-2-(4-BENZYLOXPHENYL)-3-METHYL-1H-INDOLE ZENTIVA K.S. (CZ) 2010-04-08 US disclosed
WO-2008098527-A1 METHOD FOR THE PREPARATION OF 5-BENZYLOXY-2-(4-BENZYLOXPHENYL)-3-METHYL-1H-INDOLE ZENTIVA A.S. (CZ) 2008-08-21 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-20100087661-A1 METHOD FOR THE PREPARATION OF 5-BENZYLOXY-2-(4-BENZYLOXPHENYL)-3-METHYL-1H-INDOLE CYP19A1, CYP17A1, SHBG THRB 575/4885NR1H4 341/4885SMPD1 4198/4885

“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.