SCHEMBL5057478

SCHEMBL5057478

C=CCCCCCCCCNC(=O)C(F)(F)F

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.70
KMT2A Q03164 1/20 0.70
ALDH1A1 P00352 4/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
POLB P06746 1/20 0.67
EPHX1 P07099 1/20 0.59
CA3 P07451 2/20 0.58
CA5A P35218 2/20 0.58
CA5B Q9Y2D0 2/20 0.58
CA14 Q9ULX7 2/20 0.58
CA12 O43570 1/20 0.58
CA2 P00918 1/20 0.58
CA4 P22748 1/20 0.58
CA6 P23280 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
MAPT P10636 2/20 0.42
ABCC4 O15439 1/20 0.42
LMNA P02545 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.38

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
SCHEMBL6819670 0.98 ALDH1A1 (0.69) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL9430552 0.84 ALDH1A1 (0.58) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL29982917 0.84 MEN1 (1.00) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL9557113 0.83 MEN1 (0.73) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL27889238 0.82 ALDH1A1 (1.00) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL7608354 0.81 MEN1 (0.70) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL316649 0.79 MEN1 (0.79) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL11326199 0.78 EPHX1 (0.52) ALDH1A1EPHX1MAPTABCC4LMNA
SCHEMBL570465 0.78 CA3 (0.91) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL3221326 0.76 MEN1 (0.83) MEN1KMT2AALDH1A1SMN1; SMN2POLB

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-8680062-B2 System for delivering therapeutic agents into living cells and cells nuclei Deliversir Ltd. (IL) 2014-03-25 US disclosed
US-8093177-B2 Metal oxides having molecular and/or biomolecular functionalization WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-01-10 US disclosed
US-20100108490-A1 MOLECULAR AND BIOMOLECULAR FUNCTIONALIZATION OF METAL OXIDES WISCONSIN ALUMNI RESEARCH FOUNDATION 2010-05-06 US disclosed
US-20080004234-A1 System for delivering therapeutic agents into living cells and cells nuclei SEGEV LABORATORIES LIMITED (IL) 2008-01-03 US disclosed
US-20060160763-A1 System for delivering therapeutic agents into living cells and cells nuclei SEGEV LABORATORIES LIMITED (IL) 2006-07-20 US disclosed
EP-0267996-A1 New nucleotide derivatives TAMIR BIOTECHNOLOGY LTD. (IL) 1988-05-25 EP 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 (2 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-20060160763-A1 System for delivering therapeutic agents into living cells and cells nuclei RCC1, NUMA1, ACIN1 MEN1 1982/4885KMT2A 4420/4885ALDH1A1 3923/4885
US-20080004234-A1 System for delivering therapeutic agents into living cells and cells nuclei RCC1, NUMA1, ACIN1 MEN1 1982/4885KMT2A 4420/4885ALDH1A1 3923/4885

“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.