SCHEMBL171418

SCHEMBL171418

CCCCOc1ccc(NC(C)C(=O)c2ccc(OCCCC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.55
TSHR P16473 2/20 0.51
TP53 P04637 1/20 0.51
PLA2G4B P0C869 2/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
STAT3 P40763 1/20 0.50
GAA P10253 1/20 0.50
PPARG P37231 2/20 0.49
PPARA Q07869 1/20 0.49
MMP1 P03956 2/20 0.49
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
RARB P10826 2/20 0.48

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
SCHEMBL10040911 0.87 THRB (0.55) TSHRPLA2G4BMEN1MAPTMAPK1
SCHEMBL14903550 0.81 TSHR (0.57) SLC2A1TSHRTP53PLA2G4BSMN1; SMN2
SCHEMBL10040899 0.81 TSHR (0.57) SLC2A1TSHRTP53PLA2G4BSMN1; SMN2
SCHEMBL9378715 0.81 TSHR (0.60) SLC2A1TSHRTP53PLA2G4BSMN1; SMN2
SCHEMBL13399685 0.79 LTA4H (0.59) SMN1; SMN2PPARGMEN1MAPTKMT2A
SCHEMBL19130182 0.78 TP53 (0.66) TSHRTP53PLA2G4BPPARGPPARA
SCHEMBL11045138 0.78 TP53 (0.65) TSHRTP53PLA2G4BGAAPPARG
SCHEMBL14424036 0.77 NPC1 (0.51) SLC2A1LMNASMN1; SMN2
SCHEMBL19130183 0.77 TP53 (0.69) TSHRTP53PLA2G4BGAAPPARG
SCHEMBL19130711 0.77 TP53 (0.69) TSHRTP53PLA2G4BGAAPPARG

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 6 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-2426105-A1 Process for the preparation of 5-benzyloxy-2-(4-benzyloxyphenyl)-3-methyl-1h-indole Divi's Laboratories Limited (IN) 2012-03-07 EP disclosed
US-7968732-B1 Process for the preparation of 5-benzyloxy-2-(4-benzyloxyphenyl)-3-methyl-1H-indole Divi's Laboratories, Ltd. (IN) 2011-06-28 US 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 SLC2A1 4619/4885TSHR 1016/4885TP53 4829/4885

“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.