SCHEMBL2355800

SCHEMBL2355800

CCC(C)OC(=O)C(CC(=O)O)C(=O)c1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 3/20 0.45
MAPT P10636 3/20 0.43
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
PTPN1 P18031 1/20 0.42
ADRB2 P07550 2/20 0.42
ADRB1 P08588 2/20 0.42
ADRB3 P13945 2/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 4/20 0.41
GMNN O75496 2/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 2/20 0.41
MAPK1 P28482 2/20 0.41
BLM P54132 2/20 0.41
PMP22 Q01453 2/20 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
SCHEMBL4666972 0.81 MAPT (0.49) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL2114866 0.79 CDC25B (0.52) CDC25BMAPTNR4A1NR4A2NR4A3
SCHEMBL27525529 0.78 CDC25B (0.51) CDC25BMAPTNR4A1NR4A2NR4A3
SCHEMBL7387704 0.78 CTNNB1 (0.55) MAPTKMT2AKDM4EALDH1A1TDP1
SCHEMBL8385259 0.77 NR4A1 (0.56) CDC25BMAPTNR4A1NR4A2NR4A3
SCHEMBL4573824 0.77 KMT2A (0.59) CDC25BMAPTNR4A1NR4A2NR4A3
SCHEMBL25384255 0.75 CDC25B (0.51) CDC25BNR4A1NR4A2NR4A3PTPN1
SCHEMBL30546550 0.75 CDC25B (0.51) CDC25BNR4A1NR4A2NR4A3PTPN1
SCHEMBL7654481 0.75 TDP1 (0.52) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL7651877 0.75 TDP1 (0.52) MAPTMEN1KMT2AKDM4EALDH1A1

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 5 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
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
EP-1817392-A1 FLUORESCENT DIKETOPYRROLOPYRROLES Ciba Specialty Chemicals Holding Inc. (CH) 2007-08-15 EP disclosed
WO-2006061343-A1 FLUORESCENT DIKETOPYRROLOPYRROLES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-06-15 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-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 CDC25B 3094/4885MAPT 1123/4885NR4A1 2825/4885

“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.