SCHEMBL16839615

SCHEMBL16839615

COC(=O)c1ccc(CF)c(OC(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.44
▸ PDE4A P27815 3/20 0.43
▸ PDE4B Q07343 3/20 0.43
▸ PDE4C Q08493 3/20 0.43
▸ PDE4D Q08499 3/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ XDH P47989 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ NOTUM Q6P988 1/20 0.42
▸ POLB P06746 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL23703591 0.87 MAPT (0.43) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL16839623 0.84 MAPT (0.57) MAPTCA12CA1CA2CA7
SCHEMBL2531132 0.80 NOTUM (0.58) MAPTCA12CA1CA2CA7
SCHEMBL22954276 0.80 MAPT (0.64) MAPTCA12CA1CA2CA7
SCHEMBL30116888 0.80 NOTUM (0.58) MAPTCA12CA1CA2CA7
SCHEMBL3738587 0.80 MAPT (0.64) MAPTCA12CA1CA2CA7
SCHEMBL30740897 0.80 CA12 (0.59) MAPTCA12CA1CA2CA7
SCHEMBL22980803 0.80 NOTUM (0.48) MAPTCA12CA1CA2CA7
SCHEMBL3988566 0.79 MAPT (0.53) MAPTCA12CA1CA2CA7
SCHEMBL20043049 0.79 ALDH1A1 (0.51) MAPTCA12CA1CA2CA7

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-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 — — 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-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND EGLN2, EGLN3, EGLN1 MAPT 4203/4885PDE4A 509/4885PDE4B 290/4885

“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.

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