SCHEMBL13610599

SCHEMBL13610599

O=C(CCS)OCC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
TSHR P16473 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
FABP7 O15540 1/20 0.31
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
ACE P12821 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
SCHEMBL4951808 0.85 HTT (0.54) HTTTSHRALDH1A1MEN1KMT2A
SCHEMBL13610616 0.85 HTT (0.42) HTTTSHRALDH1A1MEN1KMT2A
SCHEMBL13610600 0.83 MEN1 (0.31) HTTMEN1KMT2A
SCHEMBL56208 0.81 MAPK1 (0.34) ALDH1A1ACE
SCHEMBL5791835 0.81 HTT (0.50) HTTTSHRALDH1A1MEN1KMT2A
SCHEMBL509013 0.81 HTT (0.50) HTTTSHRALDH1A1MEN1KMT2A
SCHEMBL13610604 0.81 HTT (0.50) HTTTSHRALDH1A1MEN1KMT2A
SCHEMBL1900469 0.81 MAPK1 (0.34) ALDH1A1ACE
SCHEMBL4282321 0.79 TSHR (0.49) HTTTSHRALDH1A1MEN1KMT2A
SCHEMBL13610601 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7623751-B2 Compound, polymerizable composition, optical device, and method for producing refractive index profile optical device FUJIFILM CORPORATION (JP) 2009-11-24 US disclosed
US-7623751-B2 Compound, polymerizable composition, optical device, and method for producing refractive index profile optical device FUJIFILM CORPORATION (JP) 2009-11-24 US disclosed
US-20080226244-A1 Compound, Polymerizable Composition, Optical Device, and Method for Producing Refractive Index Profile Optical Device FUJIFILM CORPORATION (JP) 2008-09-18 US disclosed
US-20080226244-A1 Compound, Polymerizable Composition, Optical Device, and Method for Producing Refractive Index Profile Optical Device FUJIFILM CORPORATION (JP) 2008-09-18 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-20080226244-A1 Compound, Polymerizable Composition, Optical Device, and Method for Producing Refractive Index Profile Optical Device PIEZO1, PFN1, INF2 HTT 4033/4885TSHR 2398/4885ALDH1A1 1817/4885

“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.