SCHEMBL1504690

SCHEMBL1504690

O=C(NC(O)CCO)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CA3 P07451 2/20 0.32
CA5A P35218 2/20 0.32
CA5B Q9Y2D0 2/20 0.32
CA12 O43570 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
EPHX1 P07099 1/20 0.31
ESR1 P03372 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL28253440 0.81 EPHX1 (0.41) CA2ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL4172800 0.78 EPHX1 (0.47) CA2ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL712857 0.76 EPHX1 (0.50) MEN1KMT2AEPHX1
SCHEMBL28434695 0.76 CA2 (0.39) CA2ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL28224073 0.75 EPHX1 (0.53) MEN1KMT2AEPHX1
SCHEMBL8779996 0.72
SCHEMBL28438866 0.71 CA2 (0.39) CA2ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL3134199 0.70 CA2 (0.42) CA2ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL1526166 0.70
SCHEMBL11498478 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394948-B2 Reagents utilizing a serinol scaffold for labeling synthetic oligonucleotides GLEN RESEARCH CORPORATION (US) 2013-03-12 US disclosed
US-20110077389-A1 Novel Reagents Utilizing A Serinol Scaffold For Labeling Synthetic Oligonucleotides Nelson Biotechnologies, Inc. (US) 2011-03-31 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 (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-20110077389-A1 Novel Reagents Utilizing A Serinol Scaffold For Labeling Synthetic Oligonucleotides PCNA, POLL, DNMT3L CA2 3079/4885ALDH1A1 4756/4885POLB 66/4885

“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.