SCHEMBL6002467

SCHEMBL6002467

COCCOCCOCCOc1cc(C=O)cc(OCCOCCOCCOC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 2/20 0.41
RECQL P46063 2/20 0.41
FDPS P14324 1/20 0.41
MAPT P10636 4/20 0.40
HPGD P15428 4/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
EGFR P00533 2/20 0.39
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 3/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
APP P05067 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 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
SCHEMBL662039 0.94 FDPS (0.44) ALDH1A1FDPSMAPTHPGDCYP1A2
SCHEMBL10054972 0.92 TSHR (0.42) ALDH1A1KDM4ERECQLFDPSMAPT
SCHEMBL13411260 0.89 CYP1A1 (0.45) ALDH1A1FDPSMAPTHPGDCYP1A2
SCHEMBL21300649 0.85 CYP1A2 (0.42) ALDH1A1KDM4EFDPSMAPTHPGD
SCHEMBL16406826 0.84 NPC1 (0.41) ALDH1A1FDPSMAPTHPGDEGFR
SCHEMBL30461144 0.83 NPC1 (0.55) ALDH1A1FDPSMAPTHPGDCYP1A2
SCHEMBL4748638 0.83 NPC1 (0.55) ALDH1A1FDPSMAPTHPGDCYP1A2
SCHEMBL30622749 0.83 NPC1 (0.55) ALDH1A1FDPSMAPTHPGDCYP1A2
SCHEMBL5255935 0.83 NPC1 (0.55) ALDH1A1FDPSMAPTHPGDCYP1A2
SCHEMBL1347260 0.83 FDPS (0.39) ALDH1A1KDM4EFDPSMAPTHPGD

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-1363916-A4 EMISSIVE MULTICHROMOPHORIC SYSTEMS UNIV PENNSYLVANIA (US) 2006-06-28 EP disclosed
US-20040067198-A1 Emissive multichromophoric systems THERIEN MICHAEL J (US) 2004-04-08 US disclosed
EP-1363916-A2 EMISSIVE MULTICHROMOPHORIC SYSTEMS The Trustees of The University of Pennsylvania (US) 2003-11-26 EP disclosed
WO-2002104072-A2 EMISSIVE MULTICHROMOPHORIC SYSTEMS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2002-12-27 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-20040067198-A1 Emissive multichromophoric systems MC3R, EML4, TYR ALDH1A1 3214/4885KDM4E 3514/4885RECQL 1941/4885

“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.