SCHEMBL3016094

SCHEMBL3016094

CCOC(=O)c1cc(-c2cc(C(=O)OC)c(C)o2)cc(CO)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
KDM4E B2RXH2 4/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 4/20 0.37
TSHR P16473 2/20 0.37
CYP1A2 P05177 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
BRCA1 P38398 1/20 0.36
FUCA1 P04066 3/20 0.35
GLB1 P16278 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
TARBP2 Q15633 2/20 0.35
PDCD4 Q53EL6 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
ALOX15 P16050 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL3123162 0.90 ALDH1A1 (0.41) ALDH1A1KDM4EHTTHPGDTSHR
SCHEMBL3021173 0.86 ALDH1A1 (0.38) ALDH1A1KDM4EHTTHPGDTSHR
SCHEMBL3004832 0.81 CYP1A2 (0.37) ALDH1A1KDM4EHTTHPGDTSHR
SCHEMBL3004679 0.79 ALDH1A1 (0.35) ALDH1A1KDM4EHTTHPGDTSHR
SCHEMBL3476583 0.75 L3MBTL1 (0.52) ALDH1A1KDM4EHPGDTSHRCYP1A2
SCHEMBL3015657 0.74 MAPT (0.39) ALDH1A1KDM4EHTTHPGDTSHR
SCHEMBL862162 0.72 CYP1A2 (0.50) ALDH1A1KDM4EHPGDTSHRCYP1A2
SCHEMBL7467057 0.71 HPGD (0.47) ALDH1A1KDM4EHTTHPGDCYP1A2
SCHEMBL842262 0.71 GAA (0.41) ALDH1A1KDM4EHTTHPGDTSHR
SCHEMBL3016916 0.70 CYP1A2 (0.36) ALDH1A1KDM4EHTTHPGDTSHR

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
EP-2195310-B1 LUMINESCENT LANTHANIDE (III) CHELATES, CHELATING AGENTS AND CONJUGATES DERIVED THEREOF WALLAC OY (FI) 2016-06-01 EP disclosed
US-8221719-B2 Luminescent lanthanide (III) chelates, chelating agents and conjugates derived thereof WALLAC OY (FI) 2012-07-17 US disclosed
US-20100204442-A1 Luminescent lanthanide (III) chelates, chelating agents and conjugates derived thereof WALLAC OY (FI) 2010-08-12 US disclosed
EP-2195310-A1 LUMINESCENT LANTHANIDE (III) CHELATES, CHELATING AGENTS AND CONJUGATES DERIVED THEREOF Wallac OY (FI) 2010-06-16 EP disclosed
WO-2009030819-A1 LUMINESCENT LANTHANIDE (III) CHELATES, CHELATING AGENTS AND CONJUGATES DERIVED THEREOF WALLAC OY (FI) 2009-03-12 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-20100204442-A1 Luminescent lanthanide (III) chelates, chelating agents and conjugates derived thereof LNPEP, SLC39A3, LAP3 ALDH1A1 4545/4885KDM4E 2737/4885HTT 1969/4885

“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.