SCHEMBL5766493

SCHEMBL5766493

NC(N)c1c(C(=O)O)ccc2c1C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
HPGD P15428 2/20 0.52
ALOX12 P18054 2/20 0.52
BRCA1 P38398 2/20 0.52
HSD17B10 Q99714 2/20 0.52
CYP2C9 P11712 1/20 0.52
ALOX15 P16050 1/20 0.52
FTO Q9C0B1 10/20 0.51
MAPT P10636 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
HTT P42858 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
CYP2C19 P33261 1/20 0.51
RECQL P46063 1/20 0.51
BLM P54132 1/20 0.51
SMAD3 P84022 1/20 0.51
PRMT1 Q99873 1/20 0.51
ACE2 Q9BYF1 1/20 0.51
LMNA P02545 2/20 0.35

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
SCHEMBL10865272 0.89 HPGD (0.48) ALDH1A1HPGDALOX12BRCA1HSD17B10
SCHEMBL6479542 0.86 FTO (0.58) ALDH1A1HPGDALOX12BRCA1HSD17B10
SCHEMBL6037012 0.83 ALDH1A1 (0.56) ALDH1A1HPGDALOX12BRCA1HSD17B10
SCHEMBL7907421 0.83 ALDH1A1 (0.53) ALDH1A1HPGDALOX12BRCA1HSD17B10
SCHEMBL17515090 0.82 ALDH1A1 (0.55) ALDH1A1HPGDALOX12BRCA1HSD17B10
SCHEMBL20832 0.82 ALDH1A1 (0.60) ALDH1A1HPGDALOX12BRCA1HSD17B10
SCHEMBL25220939 0.82 HPGD (0.52) ALDH1A1HPGDALOX12BRCA1HSD17B10
SCHEMBL29044412 0.81 ALDH1A1 (0.67) ALDH1A1HPGDALOX12BRCA1HSD17B10
SCHEMBL635657 0.81 ALDH1A1 (0.51) ALDH1A1HPGDALOX12BRCA1HSD17B10
SCHEMBL9878722 0.81 ALDH1A1 (0.56) ALDH1A1HPGDALOX12BRCA1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546391-A4 ENERGY TRANSFER DYES, TERMINATORS AND USE THEREOF AMERSHAM BIOSCIENCES CORP (US) 2006-01-04 EP disclosed
EP-1546125-A4 FLUORESCENT LABELING REAGENTS WITH MULTIPLE DONORS AND ACCEPTORS AMERSHAM BIOSCIENCES CORP (US) 2006-01-04 EP disclosed
US-20050260593-A1 Fluorescent labeling reagents with multiple donors and acceptors GE HEALTHCARE BIO-SCIENCES CORP. 2005-11-24 US disclosed
EP-1546125-A2 FLUORESCENT LABELING REAGENTS WITH MULTIPLE DONORS AND ACCEPTORS Amersham Biosciences Corp. (US) 2005-06-29 EP disclosed
EP-1546391-A2 ENERGY TRANSFER DYES, TERMINATORS AND USE THEREOF Amersham Biosciences Corp. (US) 2005-06-29 EP disclosed
WO-2004029578-A2 ENERGY TRANSFER DYES, TERMINATORS AND USE THEREOF AMERSHAM BIOSCIENCES CORP (US) 2004-04-08 WO disclosed
WO-2004029579-A2 FLUORESCENT LABELING REAGENTS WITH MULTIPLE DONORS AND ACCEPTORS AMERSHAM BIOSCIENCES CORP (US) 2004-04-08 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-20050260593-A1 Fluorescent labeling reagents with multiple donors and acceptors GFPT1, PFAS, HLCS ALDH1A1 108/4885HPGD 2781/4885ALOX12 3468/4885

“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.