SCHEMBL12394221

SCHEMBL12394221

CCCCN(CCCC)c1ccc(C)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.46
GBA1 P04062 2/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
HDAC6 Q9UBN7 2/20 0.39
CCR1 P32246 1/20 0.39
CCR5 P51681 1/20 0.39
CCR8 P51685 1/20 0.39
LMNA P02545 2/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
AOC3 Q16853 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
CRHR1 P34998 2/20 0.36
NOS3 P29474 1/20 0.36

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
SCHEMBL13879816 0.96 HCAR3 (0.51) HCAR3GBA1KDM4EALDH1A1GAA
SCHEMBL20056973 0.89 HCAR3 (0.57) HCAR3GBA1KDM4EALDH1A1GAA
SCHEMBL11566506 0.87 GBA1 (0.45) HCAR3GBA1MAPTCRHR1KCNH2
SCHEMBL21388440 0.81 HCAR3 (0.50) HCAR3GBA1KDM4EALDH1A1GAA
SCHEMBL179288 0.80 GBA1 (0.62) HCAR3GBA1KDM4EHDAC6CCR1
SCHEMBL18937028 0.80 GBA1 (0.45) HCAR3GBA1KDM4EALDH1A1GAA
SCHEMBL16258696 0.79 HCAR3 (0.47) HCAR3GBA1KDM4EALDH1A1GAA
SCHEMBL20376415 0.78 HCAR3 (0.48) HCAR3GBA1KDM4ELMNADRD2
SCHEMBL4065147 0.77 ALDH1A1 (0.45) HCAR3KDM4EALDH1A1GAAMAPT
SCHEMBL14355251 0.76 HCAR3 (0.42) HCAR3GBA1LMNADRD2DRD3

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-8008507-B2 Fluorescent diketopyrrolopyrroles BASF SE Ludwigshafen (DE) 2011-08-30 US disclosed
US-8008507-B2 Fluorescent diketopyrrolopyrroles BASF SE Ludwigshafen (DE) 2011-08-30 US disclosed
US-7906039-B2 Fluorescent diketopyrrolopyrroles BASF SE (DE) 2011-03-15 US disclosed
US-7906039-B2 Fluorescent diketopyrrolopyrroles BASF SE (DE) 2011-03-15 US disclosed
US-20090173916-A1 Fluorescent diketopyrrolopyrroles CLAP CO., LTD. (KR) 2009-07-09 US disclosed
US-20090173916-A1 Fluorescent diketopyrrolopyrroles CLAP CO., LTD. (KR) 2009-07-09 US disclosed
US-7501076-B2 Fluorescent diketopyrrolopyrroles CIBA SPECIALTY CHEMICALS CORPORATION (US) 2009-03-10 US disclosed
US-7501076-B2 Fluorescent diketopyrrolopyrroles CIBA SPECIALTY CHEMICALS CORPORATION (US) 2009-03-10 US disclosed
EP-1817392-B1 FLUORESCENT DIKETOPYRROLOPYRROLES CIBA HOLDING INC (CH) 2009-01-07 EP disclosed
US-20080217581-A1 Inks, colorants, pigmented plastics for coatings, non-impact-printing material, color filters, cosmetics, polymeric ink particles, toners, fluorescent tracers; high in the efficiency of electrical energy utilisation and high in luminance CIBA CORPORATION 2008-09-11 US disclosed
US-20080217581-A1 Inks, colorants, pigmented plastics for coatings, non-impact-printing material, color filters, cosmetics, polymeric ink particles, toners, fluorescent tracers; high in the efficiency of electrical energy utilisation and high in luminance CIBA CORPORATION 2008-09-11 US disclosed
US-20070010672-A1 Fluorescent diketopyrrolopyrroles CLAP CO., LTD. (KR) 2007-01-11 US disclosed
US-20070010672-A1 Fluorescent diketopyrrolopyrroles CLAP CO., LTD. (KR) 2007-01-11 US 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 (3 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-20080217581-A1 Inks, colorants, pigmented plastics for coatings, non-impact-printing material, color filters, cosmetics, polymeric ink particles, toners, fluorescent tracers; high in the efficiency of electrical energy utilisation and high in luminance TYR, MC1R, IK HCAR3 940/4885GBA1 4521/4885KDM4E 130/4885
US-20070010672-A1 Fluorescent diketopyrrolopyrroles TYR, QDPR, MC1R HCAR3 1303/4885GBA1 3649/4885KDM4E 205/4885
US-20090173916-A1 Fluorescent diketopyrrolopyrroles TYR, IK, MC1R HCAR3 1599/4885GBA1 3622/4885KDM4E 243/4885

“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.