SCHEMBL6045455

SCHEMBL6045455

CC(C)N(C(C)C)P(OCCC#N)OCCCNC(=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
EPHX1 P07099 1/20 0.38
CA14 Q9ULX7 2/20 0.37
CA3 P07451 2/20 0.37
CA5A P35218 2/20 0.37
CA5B Q9Y2D0 2/20 0.37
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL714350 0.96 MEN1 (0.43) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL27052880 0.91 MEN1 (0.38) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL12500466 0.90 MEN1 (0.34) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL14538806 0.85 EPHX1 (0.45) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL18349839 0.83 EPHX1 (0.36) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL14286753 0.83
SCHEMBL14538977 0.82 EPHX1 (0.47) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL15617410 0.82
SCHEMBL1687471 0.82 ALDH1A1 (0.35) ALDH1A1
SCHEMBL14538819 0.81 EPHX1 (0.49) ALDH1A1POLBSMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100112619-A1 LIGAND-CONTAINING MICELLES AND USES THEREOF GRAHAM RONALD J 2010-05-06 US disclosed
US-20090047699-A1 FLUOROGENIC ENZYME ACTIVITY ASSAY METHODS AND COMPOSITIONS USING FRAGMENTABLE LINKERS APPLIED BIOSYSTEMS INC. (US) 2009-02-19 US disclosed
US-20060063147-A1 Omega-amino-PEG-phosphoramidites and conjugates thereof U CHICAGO ARGONNE LLC 2006-03-23 US disclosed
US-20040115685-A1 Immobilisation of ligands PHARMA GEN SA (ES) 2004-06-17 US disclosed
EP-1366193-A2 IMMOBILISATION OF LIGANDS USING SACCHARIDES Pharma Gen S.A. (ES) 2003-12-03 EP disclosed
WO-2002072887-A2 IMMOBILISATION OF LIGANDS USING SACCHARIDES PHARMA GEN S.A. (ES) 2002-09-19 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-20090047699-A1 FLUOROGENIC ENZYME ACTIVITY ASSAY METHODS AND COMPOSITIONS USING FRAGMENTABLE LINKERS BCHE, SI, ENGASE ALDH1A1 1711/4885POLB 474/4885SMN1; SMN2 1469/4885

“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.