SCHEMBL23660968

SCHEMBL23660968

FC(F)(F)C(=C(N1CCCCCC1)C(F)(F)C(F)(F)F)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 3/20 0.33
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
CA12 O43570 2/20 0.31
CA9 Q16790 2/20 0.31
F2 P00734 1/20 0.31
MGLL Q99685 2/20 0.30
PIN1 Q13526 1/20 0.30
PHGDH O43175 1/20 0.30
ALDH2 P05091 1/20 0.30
FBP1 P09467 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
SCHEMBL23661365 1.00 MLYCD (0.33) MLYCDALDH1A1MEN1HPGDTSHR
SCHEMBL23661367 0.98 MLYCD (0.33) MLYCD
SCHEMBL23660967 0.85 ALDH1A1 (0.38) MLYCDALDH1A1MEN1HPGDTSHR
SCHEMBL23660963 0.83 MLYCD (0.38) MLYCDALDH1A1MEN1HPGDTSHR
SCHEMBL23661363 0.78 MLYCD (0.36) MLYCDALDH1A1MEN1KMT2ACA1
SCHEMBL17453100 0.76 ALDH1A1 (0.35) MLYCDALDH1A1MEN1HPGDTSHR
SCHEMBL18942813 0.76 ALDH1A1 (0.35) MLYCDALDH1A1MEN1HPGDTSHR
SCHEMBL23660971 0.75 NAMPT (0.30)
SCHEMBL17453108 0.73 MLYCD (0.35) MLYCDALDH1A1MEN1HPGDTSHR
SCHEMBL9588108 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210221776-A1 PERFLUOROAMINOOLEFINS AND METHODS OF MAKING AND USING THE SAME 3M INNOVATIVE PROPERTIES COMPANY 2021-07-22 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-20210221776-A1 PERFLUOROAMINOOLEFINS AND METHODS OF MAKING AND USING THE SAME FGB, RFTN1, AFF1 MLYCD 3104/4885ALDH1A1 4051/4885MEN1 4176/4885

“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.