SCHEMBL2820073

SCHEMBL2820073

CC(CC(=O)O)c1ccc2c(c1)C(=O)OC2=O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.49
SLC22A12 Q96S37 1/20 0.43
CYP2C9 P11712 1/20 0.37
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
S1PR5 Q9H228 1/20 0.36
IDO1 P14902 3/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA4 P22748 2/20 0.36
CA7 P43166 2/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
CSNK2A3 Q8NEV1 1/20 0.36
TNF P01375 1/20 0.36
ALDH1A1 P00352 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
KMT2A Q03164 1/20 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
SCHEMBL12843804 0.80 CA2 (0.33) FFAR1SLC22A12CA12CA1CA7
SCHEMBL13397789 0.80 HDAC4 (0.47) ALDH1A1
SCHEMBL4958265 0.78 TDP1 (0.41) ALDH1A1KMT2A
Benzene SCHEMBL4958274 0.78 LMNA (0.50) CA12CA1CA4CA7CSNK2A2
SCHEMBL10328403 0.76 UGT2B7 (0.46) CA12CA1CA4CA7ALDH1A1
SCHEMBL11436231 0.76 LMNA (0.52) CA1ALDH1A1
SCHEMBL433935 0.76 ALDH1A1 (0.48) CA12CA1CA4CA7ALDH1A1
SCHEMBL9516526 0.76 FOLH1 (0.46) KMT2A
SCHEMBL28261238 0.75 FFAR1 (0.51) FFAR1S1PR1S1PR3S1PR5IDO1
SCHEMBL15511869 0.73 TDP1 (0.45) CYP2C9CA12CA1CA4CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100304381-A1 FLUORESCENT NUCLEOBASE CONJUGATES HAVING ANIONIC LINKERS Life Technologies Corporation (US) 2010-12-02 US disclosed
US-7687236-B2 Fluorescent nucleobase conjugates having anionic linkers APPLIED BIOSYSTEMS, LLC (US) 2010-03-30 US disclosed
EP-1317464-B1 FLUORESCENT NUCLEOBASE CONJUGATES HAVING ANIONIC LINKERS APPLERA CORP (US) 2009-05-13 EP disclosed
US-20090092986-A1 Fluorescent Nucleobase Conjugates Having Anionic Linkers APPLIED BIOSYSTEMS INC. (US) 2009-04-09 US disclosed
US-7429651-B2 Fluorescent nucleobase conjugates having anionic linkers APPLERA CORPORATION (US) 2008-09-30 US disclosed
US-20070254298-A1 ATROPISOMERS OF ASYMMETRIC XANTHENE FLUORESCENT DYES AND METHOD OF DNA SEQUENCING AND FRAGMENT ANALYSIS APPLERA CORPORATION, APPLIED BIOSYSTEMS GROUP (US) 2007-11-01 US disclosed
US-20060188915-A1 ATROPISOMERS OF ASYMMETRIC XANTHENE FLUORESCENT DYES AND METHODS OF DNA SEQUENCING AND FRAGMENT ANALYSIS APPLERA CORPORATION (US) 2006-08-24 US disclosed
US-7038063-B2 Atropisomers of asymmetric xanthene fluorescent dyes and methods of DNA sequencing and fragment analysis APPLERA CORPORATION (US) 2006-05-02 US disclosed
US-20050250119-A1 Fluorescent nucleobase conjugates having anionic linkers APPLERA CORPORATION (US) 2005-11-10 US disclosed
US-20040229235-A1 Atropisomers of asymmetric xanthene fluorescent dyes and methods of DNA sequencing and fragment analysis APPLERA CORPORATION 2004-11-18 US disclosed
US-6811979-B2 NUCLEOTIDE DERIVATIVE FOR USE IN SEQUENCE DETERMINATION OF NUCLEIC ACID MOLECULE APPLERA CORPORATION 2004-11-02 US disclosed
US-6649769-B2 For labelling a polynucleotides APPLERA CORPORATION 2003-11-18 US disclosed
EP-1330550-A2 ATROPISOMERS OF ASYMMETRIC XANTHENE FLUORESCENT DYES AND METHODS OF DNA SEQUENCING AND FRAGMENT ANALYSIS Applera Corporation (US) 2003-07-30 EP disclosed
EP-1317464-A2 FLUORESCENT NUCLEOBASE CONJUGATES HAVING ANIONIC LINKERS Applera Corporation (US) 2003-06-11 EP disclosed
US-20030055243-A1 Atropisomers of asymmetric xanthene fluorescent dyes and methods of DNA sequencing and fragment analysis PE CORPORATION (NY) 2003-03-20 US disclosed
US-6448407-B1 LABELS FOR SUCH AS NUCLEOTIDES, NUCLEOSIDES, POLYPEPTIDES, POLYNUCLEOTIDES AND CARBOHYDRATES; SEQUENCING, FRAGMENT ANALYSIS, OLIGONUCLEOTIDE LIGATION, AMPLIFICATION, MINISEQUENCING, AND PRIMER EXTENSION PE CORPORATION (NY) 2002-09-10 US disclosed
US-20020102590-A1 Fluorescent nucleobase conjugates having anionic linkers PE CORPORATION (NY) (US) 2002-08-01 US disclosed
WO-2002036832-A2 ATROPISOMERS OF ASYMMETRIC XANTHENE FLUORESCENT DYES AND METHODS OF DNA SEQUENCING AND FRAGMENT ANALYSIS APPLERA CORPORATION (US) 2002-05-10 WO disclosed
WO-2002030944-A2 FLUORESCENT NUCLEOBASE CONJUGATES HAVING ANIONIC LINKERS APPLERA CORPORATION (US) 2002-04-18 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 (6 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-20060188915-A1 ATROPISOMERS OF ASYMMETRIC XANTHENE FLUORESCENT DYES AND METHODS OF DNA SEQUENCING AND FRAGMENT ANALYSIS CHRNB3, CHRNB4, SPR FFAR1 1543/4885SLC22A12 1001/4885CYP2C9 1550/4885
US-20070254298-A1 ATROPISOMERS OF ASYMMETRIC XANTHENE FLUORESCENT DYES AND METHOD OF DNA SEQUENCING AND FRAGMENT ANALYSIS CHRNB3, CHRNB4, SPR FFAR1 1535/4885SLC22A12 1065/4885CYP2C9 1442/4885
US-20050250119-A1 Fluorescent nucleobase conjugates having anionic linkers DNTT, DUT, NT5C3B FFAR1 2477/4885SLC22A12 678/4885CYP2C9 3930/4885
US-20040229235-A1 Atropisomers of asymmetric xanthene fluorescent dyes and methods of DNA sequencing and fragment analysis CHRNB3, CHRNB4, SPR FFAR1 1543/4885SLC22A12 1001/4885CYP2C9 1550/4885
US-20100304381-A1 FLUORESCENT NUCLEOBASE CONJUGATES HAVING ANIONIC LINKERS DNTT, DUT, NT5C3B FFAR1 2477/4885SLC22A12 678/4885CYP2C9 3930/4885
US-20020102590-A1 Fluorescent nucleobase conjugates having anionic linkers DNTT, DUT, NT5C3B FFAR1 2477/4885SLC22A12 678/4885CYP2C9 3930/4885

“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.