SCHEMBL15955869

SCHEMBL15955869

FC(F)(F)Cc1ccco1.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
MLYCD O95822 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CHRM2 P08172 1/20 0.36
POLB P06746 3/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 4/20 0.35
ALOX5 P09917 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
USP2 O75604 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TSHR P16473 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL8570516 0.94 GAA (0.41) GAAMLYCDMEN1KMT2ACHRM2
SCHEMBL28659354 0.74 ALDH1A1 (0.41) GAAMEN1KMT2ACHRM2POLB
SCHEMBL8570960 0.73 CHRM2 (0.45) GAAMEN1KMT2ACHRM2POLB
SCHEMBL8569587 0.71 GAA (0.41) GAAMEN1KMT2ACHRM2POLB
SCHEMBL275345 0.71 ALDH1A1 (0.44) GAAMEN1KMT2ACHRM2POLB
Furfuryl Alcohol SCHEMBL5035658 0.71 ALDH1A1 (0.42) GAAMLYCDMEN1KMT2ACHRM2
SCHEMBL28009434 0.69 ALOX5 (0.49) GAAMLYCDPOLBHPGDMAPT
SCHEMBL17064864 0.69 ALDH1A1 (0.49) GAAMLYCDMEN1KMT2ACHRM2
SCHEMBL12812535 0.68 ALDH1A1 (0.46) GAAMEN1KMT2ACHRM2POLB
SCHEMBL8323969 0.68 SLC6A2 (0.45) GAAMEN1KMT2ACHRM2POLB

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-9856275-B2 Synthesis and use of fluorinated compounds THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-01-02 US disclosed
US-20160002270-A1 SYNTHESIS AND USE OF FLUORINATED COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-07 US disclosed
WO-2014126990-A1 SYNTHESIS AND USE OF FLUORINATED COMPOUNDS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2014-08-21 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-20160002270-A1 SYNTHESIS AND USE OF FLUORINATED COMPOUNDS AFF2, AFF4, AFF1 GAA 3381/4885MLYCD 1869/4885MEN1 1550/4885

“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.