SCHEMBL17816209

SCHEMBL17816209

CC(C)OC(=O)c1cnc(C(C)(C)C)cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA7 P43166 3/20 0.37
CA9 Q16790 3/20 0.37
CA14 Q9ULX7 3/20 0.37
NPSR1 Q6W5P4 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
THRB P10828 1/20 0.35
ASPH Q12797 1/20 0.34
PDK2 Q15119 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 4/20 0.33
CFTR P13569 3/20 0.33
PKM P14618 1/20 0.33
POLB P06746 1/20 0.33
XPO1 O14980 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
SCHEMBL17816469 0.84 MAPT (0.41) MAPTCA12CA1CA2CA7
SCHEMBL17808271 0.83 MAPT (0.40) MAPTNPSR1ASPHMEN1KMT2A
SCHEMBL17816217 0.75 KMT2A (0.43) NPSR1ASPHMEN1KMT2AKDM4E
SCHEMBL17816208 0.74 POLB (0.41) MAPTNPSR1L3MBTL1THRBASPH
SCHEMBL17816219 0.74 MEN1 (0.46) MAPTNPSR1ASPHMEN1KMT2A
SCHEMBL16723454 0.74 ALDH1A1 (0.48) MAPTCA12CA1CA2CA7
SCHEMBL17808248 0.73 ASPH (0.33) MAPTASPHMEN1KMT2A
SCHEMBL17808249 0.73 PDE3B (0.35) MAPTASPHMEN1KMT2A
SCHEMBL28065059 0.72 NPC1 (0.46) MAPTCA12CA1CA2CA7
SCHEMBL17943303 0.72 CFTR (0.48) MAPTASPHCFTRPKMGAA

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-9963445-B2 Chemical compounds SYNGENTA LIMITED (GB) 2018-05-08 US disclosed
US-9963445-B2 Chemical compounds SYNGENTA LIMITED (GB) 2018-05-08 US disclosed
US-20160159781-A1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-06-09 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-20160159781-A1 CHEMICAL COMPOUNDS DDT, CBR3, CYP1B1 MAPT 4454/4885CA12 4257/4885CA1 1886/4885

“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.