SCHEMBL316846

SCHEMBL316846

CCN(CC)C(=O)c1ccc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 8/20 0.52
ALDH1A1 P00352 4/20 0.43
HPGD P15428 4/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
OPRD1 P41143 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL317227 0.86 MLYCD (0.42) MLYCDALDH1A1HPGDMAPTRAB9A
SCHEMBL3278359 0.78 CYP4A11 (0.51) ALDH1A1HPGDMAPTLMNAMEN1
SCHEMBL316847 0.77 MLYCD (0.58) MLYCDALDH1A1HPGDMAPTRAB9A
SCHEMBL316508 0.77 MLYCD (0.54) MLYCDALDH1A1HPGDMAPTRAB9A
SCHEMBL3563407 0.74 ESR1 (0.58) MLYCDALDH1A1HPGDMAPTRAB9A
SCHEMBL25694003 0.73 L3MBTL1 (0.39) MLYCDALDH1A1RAB9ANPC1L3MBTL1
SCHEMBL3426890 0.73 CA2 (0.35)
SCHEMBL7156898 0.73 ESR1 (0.46) ALDH1A1LMNAMEN1KMT2AL3MBTL1
SCHEMBL3427358 0.73 CA2 (0.35)
SCHEMBL12727813 0.73 CYP1A2 (0.41) ALDH1A1MAPTRAB9ANPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093429-B2 Fluoroamine having perfluoroalkyl group, process for producing the same, method of fluorination therewith, and method of recovering amide having perfluoroalkyl group NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2012-01-10 US disclosed
US-20090198086-A1 FLUOROAMINE HAVING PERFLUOROALKYL GROUP, PROCESS FOR PRODUCING THE SAME, METHOD OF FLUORINATION THEREWITH, AND METHOD OF RECOVERING AMIDE HAVING PERFLUOROALKYL GROUP NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2009-08-06 US disclosed
EP-2022776-A1 FLUOROAMINE HAVING PERFLUOROALKYL GROUP, PROCESS FOR PRODUCING THE SAME, METHOD OF FLUORINATION THEREWITH, AND METHOD OF RECOVERING AMIDE HAVING PERFLUOROALKYL GROUP National University Corporation Hokkaido University (JP) 2009-02-11 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 (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-20090198086-A1 FLUOROAMINE HAVING PERFLUOROALKYL GROUP, PROCESS FOR PRODUCING THE SAME, METHOD OF FLUORINATION THEREWITH, AND METHOD OF RECOVERING AMIDE HAVING PERFLUOROALKYL GROUP AFF2, AFF1, PFAS MLYCD 2497/4885ALDH1A1 685/4885HPGD 2615/4885

“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.