SCHEMBL6340962

SCHEMBL6340962

CCNc1ccc(C(c2ccc(N(CC)CC)cc2)c2ccc(N(CC)CC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.49
ALDH1A1 P00352 5/20 0.47
TSHR P16473 2/20 0.47
GRK6 P43250 1/20 0.45
MAPT P10636 4/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
RAB9A P51151 3/20 0.44
NOX1 Q9Y5S8 2/20 0.44
NPC1 O15118 2/20 0.44
MAPK1 P28482 3/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 2/20 0.42
THRB P10828 2/20 0.42
HTT P42858 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
PSMD14 O00487 1/20 0.42
CYP3A4 P08684 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL103248 0.89 CNR2 (0.58) CNR2ALDH1A1TSHRMAPTMEN1
SCHEMBL131813 0.84 ALDH1A1 (0.56) CNR2ALDH1A1TSHRGRK6MAPT
SCHEMBL2492871 0.84 MAPT (0.47) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL22415842 0.84 ALDH1A1 (0.49) CNR2ALDH1A1TSHRGRK6MAPT
SCHEMBL7004640 0.83 CNR2 (0.53) CNR2ALDH1A1TSHRMAPTMEN1
SCHEMBL3894772 0.79 GAA (0.41) CNR2ALDH1A1TSHRGRK6MAPT
SCHEMBL13309976 0.79 CNR2 (0.49) CNR2ALDH1A1TSHRMAPTMEN1
SCHEMBL14943953 0.79 CNR2 (0.49) CNR2ALDH1A1TSHRMAPTMEN1
SCHEMBL9322409 0.77 LMNA (0.53) ALDH1A1MAPTHTT
SCHEMBL109699 0.77 CNR2 (0.53) CNR2ALDH1A1TSHRGRK6MAPT

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050080260-A1 Preparation of prodrugs for selective drug delivery LUMINIDE 2005-04-14 US claimed
US-20050080260-A1 Preparation of prodrugs for selective drug delivery LUMINIDE 2005-04-14 US disclosed
US-6555663-B1 Pharmaceuticals which are activated intracellularly by reaction with cellular electron carriers or free radicals to cause release of a free and active drug molecule MILLS RANDELL LEE (US) 2003-04-29 US disclosed
US-5428163-A Luminides; chemiluminescence; redox system, releasing free drug MILLS RANDELL L (US) 1995-06-27 US disclosed
EP-0133182-B1 OXIDATION-REDUCTION COLOR PRODUCTION-TYPE HEAT-SENSITIVE RECORDING UNIT MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-03-15 EP disclosed
EP-0055847-B1 PRESSURE SENSITIVE RECORDING UNIT MITSUI TOATSU CHEMICALS, Inc. (JP) 1986-04-02 EP disclosed
US-4561000-A METHINE-TYPE CHROMOGEN, BENZOQUINONE OXIDIZER, COLOR PRODUCTION SENSITIVITY REGULATOR, SUBSTRATE MITSUI TOATSU CHEMICALS, INC. (JP) 1985-12-24 US disclosed
EP-0058430-B1 DYESTUFF-CONTAINING MICROSCOPIC CAPSULE DISPERSION FOR RECORD MATERIALS MITSUI TOATSU CHEMICALS, Inc. (JP) 1985-12-04 EP disclosed
EP-0133182-A1 OXIDATION-REDUCTION COLOR PRODUCTION-TYPE HEAT-SENSITIVE RECORDING UNIT MITSUI TOATSU CHEMICALS, Inc. (JP) 1985-02-20 EP disclosed
US-4398753-A METHINE-TYPE DYES AND QUINONE DERIVATIVE IN REDOX SYSTEM FOR CARBON-FREE REPRODUCTION MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1983-08-16 US disclosed
US-4384871-A Dyestuff-containing microscopic capsule dispersion for record materials MITSUI TOATSU CHEMICALS, INC. (JP) 1983-05-24 US disclosed
EP-0058430-A1 Dyestuff-containing microscopic capsule dispersion for record materials MITSUI TOATSU CHEMICALS, Inc. (JP) 1982-08-25 EP disclosed
EP-0055847-A1 Pressure sensitive recording unit MITSUI TOATSU CHEMICALS, Inc. (JP) 1982-07-14 EP 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-20050080260-A1 Preparation of prodrugs for selective drug delivery APEH, PAH, ALAD CNR2 2971/4885ALDH1A1 61/4885TSHR 3654/4885

“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.