SCHEMBL13610612

SCHEMBL13610612

CC(CS)C(=O)OCC(F)(F)C(F)F

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MAPK1 P28482 1/20 0.38
TSHR P16473 2/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL12939342 0.83 POLB (0.39) POLBGAAALDH1A1MEN1KMT2A
SCHEMBL25981449 0.82 POLB (0.43) POLBGAAALDH1A1MEN1KMT2A
SCHEMBL13610605 0.81 POLB (0.40) POLBGAAALDH1A1MEN1KMT2A
SCHEMBL805292 0.80 POLB (0.42) POLBGAAALDH1A1MEN1KMT2A
SCHEMBL1170960 0.78 ENPEP (0.33) MAPK1HTT
SCHEMBL16160720 0.77 POLB (0.40) POLBGAAALDH1A1MEN1KMT2A
SCHEMBL3087600 0.76 LMNA (0.35) LMNATSHRHTTTDP1
SCHEMBL25858052 0.76 HTT (0.43) POLBGAAALDH1A1MEN1KMT2A
SCHEMBL13610602 0.75 TSHR (0.44) POLBGAAALDH1A1MEN1KMT2A
SCHEMBL2536484 0.74 POLB (0.43) POLBGAAALDH1A1MEN1KMT2A

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 2 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-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 POLB 1299/4885GAA 4455/4885ALDH1A1 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.