SCHEMBL3687919

SCHEMBL3687919

Cc1c(O)c(O)cc(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELL P14151 1/20 0.43
SELP P16109 1/20 0.43
SELE P16581 1/20 0.43
ACHE P22303 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
APEX1 P27695 1/20 0.37
MPI P34949 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
CA3 P07451 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
CES2 O00748 1/20 0.33

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
SCHEMBL564668 0.84 SELL (0.38) SELLSELPSELEACHEKDM4E
SCHEMBL19880436 0.84 SELL (0.38) SELLSELPSELEACHEKDM4E
SCHEMBL27804340 0.82 SELL (0.36) SELLSELPSELEACHEKDM4E
SCHEMBL374990 0.79 ACHE (0.43) SELLSELPSELEACHEKDM4E
SCHEMBL30413280 0.79 ACHE (0.43) SELLSELPSELEACHEKDM4E
SCHEMBL20621268 0.78 HSD17B10 (0.41) SELLSELPSELEACHEALDH1A1
SCHEMBL19880474 0.78 CYP3A4 (0.39) SELLSELPSELEALDH1A1MAPT
SCHEMBL19880477 0.77 PTGS1 (0.33) SELLSELPSELE
SCHEMBL5509678 0.75 CES2 (0.38) SELLSELPSELEKDM4EMAPT
Methyl Alcohol SCHEMBL9652269 0.75 CA1 (0.40) SELLSELPSELEACHEPOLB

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-7820862-B2 Ligand, method for producing the same, and catalyst using the ligand THE UNIVERSITY OF TOKYO (JP) 2010-10-26 US disclosed
US-20090023579-A1 Ligand, Method for Producing the Same, and Catalyst Using the Ligand THE UNIVERSITY OF TOKYO (JP) 2009-01-22 US disclosed
EP-1995250-A1 LIGAND, METHOD FOR PRODUCING THE SAME, AND CATALYST USING THE LIGAND The University of Tokyo (JP) 2008-11-26 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-20090023579-A1 Ligand, Method for Producing the Same, and Catalyst Using the Ligand CHRM1, CHRM2, B3GNT2 SELL 186/4885SELP 620/4885SELE 418/4885

“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.