SCHEMBL10040975

SCHEMBL10040975

CCCCOc1ccc(-c2[nH]c3cc(OCCCC)ccc3c2C)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.51
CTSV O60911 1/20 0.49
CTSL P07711 1/20 0.49
CYP2D6 P10635 7/20 0.49
CYP2C9 P11712 7/20 0.49
CYP2C19 P33261 7/20 0.49
CYP3A4 P08684 5/20 0.49
CYP19A1 P11511 6/20 0.46
CYP1A2 P05177 5/20 0.46
GPR84 Q9NQS5 1/20 0.44
MAOA P21397 2/20 0.43
GPR17 Q13304 1/20 0.43
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
XDH P47989 1/20 0.41

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
SCHEMBL171348 0.89 NR1I2 (0.64) NR1I2CTSVCTSLCYP2D6CYP2C9
SCHEMBL14546539 0.83 NR1I2 (0.55) NR1I2CTSVCTSLCYP2D6CYP2C9
SCHEMBL14608693 0.81 NR1I2 (0.53) NR1I2CTSVCTSLCYP2D6CYP2C9
SCHEMBL5195427 0.80 F2 (0.43) NR1I2CTSVCTSLMAOA
SCHEMBL13399696 0.80 CTSV (0.59) CTSVCTSLMAOA
SCHEMBL14608490 0.78 NR1I2 (0.50) NR1I2CTSVCTSLCYP2D6CYP2C9
SCHEMBL12966419 0.77 NR1I2 (0.60) NR1I2CTSVCTSLCYP2D6CYP2C9
SCHEMBL12966402 0.76 CTSV (0.51) NR1I2CTSVCTSLCYP2D6CYP2C9
SCHEMBL16790723 0.76 GABRP (0.61) CTSVCTSLCYP2D6CYP2C9CYP2C19
SCHEMBL5193548 0.75 PPARG (0.54) MAOA

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 NR1I2 695/4885CTSV 4847/4885CTSL 4608/4885

“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.