SCHEMBL5495940

SCHEMBL5495940

CC(C)C1CC[C@@H](C)CC1OC(N)=O

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.58
ALDH1A1 P00352 9/20 0.57
HPGD P15428 2/20 0.57
CYP19A1 P11511 2/20 0.52
TRPA1 O75762 2/20 0.47
TRPM8 Q7Z2W7 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
TSHR P16473 2/20 0.45
USP2 O75604 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL27914203 1.00 EPHX1 (0.58) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL584831 1.00 EPHX1 (0.58) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL10199136 1.00 EPHX1 (0.58) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL2125537 1.00 EPHX1 (0.58) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL3380308 0.90 EPHX1 (0.53) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL24026949 0.90 EPHX1 (0.49) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL18629605 0.90 EPHX1 (0.49) EPHX1ALDH1A1HPGDCYP19A1TRPA1
Nornitrogen Mustard SCHEMBL3380310 0.87 EPHX1 (0.51) EPHX1ALDH1A1HPGDCYP19A1TRPM8
SCHEMBL13468949 0.87 ALDH1A1 (0.58) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL28062170 0.87 ALDH1A1 (0.58) EPHX1ALDH1A1HPGDCYP19A1TRPA1

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
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-20040229235-A1 Atropisomers of asymmetric xanthene fluorescent dyes and methods of DNA sequencing and fragment analysis APPLERA CORPORATION 2004-11-18 US disclosed
US-6649769-B2 For labelling a polynucleotides APPLERA CORPORATION 2003-11-18 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 EPHX1 4388/4885ALDH1A1 3581/4885HPGD 458/4885
US-20070254298-A1 ATROPISOMERS OF ASYMMETRIC XANTHENE FLUORESCENT DYES AND METHOD OF DNA SEQUENCING AND FRAGMENT ANALYSIS CHRNB3, CHRNB4, SPR EPHX1 4436/4885ALDH1A1 3563/4885HPGD 479/4885
US-20040229235-A1 Atropisomers of asymmetric xanthene fluorescent dyes and methods of DNA sequencing and fragment analysis CHRNB3, CHRNB4, SPR EPHX1 4388/4885ALDH1A1 3581/4885HPGD 458/4885

“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.