SCHEMBL17816469

SCHEMBL17816469

Cc1cc(C(F)(F)F)c(C(=O)OC(C)C)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA7 P43166 3/20 0.40
CA9 Q16790 3/20 0.40
CA14 Q9ULX7 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
THRB P10828 1/20 0.36
ASPH Q12797 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 3/20 0.36
POLQ O75417 1/20 0.36
PDK2 Q15119 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CES2 O00748 1/20 0.36
RBP4 P02753 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL17816209 0.84 MAPT (0.39) MAPTCA12CA1CA2CA7
SCHEMBL12302078 0.83 MAPT (0.55) MAPTALDH1A1KDM4EPOLQMEN1
SCHEMBL28065181 0.81 MAPT (0.45) MAPTNPSR1ASPHKDM4EPOLQ
SCHEMBL17732604 0.81 CA12 (0.44) MAPTCA12CA1CA2CA7
SCHEMBL13468557 0.80 KDM4E (0.56) MAPTL3MBTL1ALDH1A1KDM4E
SCHEMBL16454401 0.80 JUN (0.43) MAPTASPHALDH1A1KDM4EPOLQ
SCHEMBL14866316 0.80 CA12 (0.54) MAPTCA12CA1CA2CA7
SCHEMBL27743600 0.79 ASPH (0.43) MAPTNPSR1ASPHALDH1A1KDM4E
SCHEMBL3653197 0.78 CA12 (0.41) MAPTCA12CA1CA2CA7
SCHEMBL1105997 0.77 ASPH (0.54) ASPHKDM4EKMT2ACES2RBP4

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-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.