SCHEMBL13019342

SCHEMBL13019342

COc1cccc(C(F)(F)C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.47
ACHE P22303 1/20 0.47
ALDH1A1 P00352 3/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CYP3A4 P08684 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL14191200 0.84 ACHE (0.47) KIF11ACHEALDH1A1CA1CA2
SCHEMBL29782607 0.83 L3MBTL1 (0.58) ACHEALDH1A1CA1CA2CA7
SCHEMBL167016 0.83 L3MBTL1 (0.58) ACHEALDH1A1CA1CA2CA7
SCHEMBL27295380 0.82 MAPT (0.57) ACHEALDH1A1CA1CA2CA7
SCHEMBL14919359 0.82 ACHE (0.48) KIF11ACHEALDH1A1CA1CA2
SCHEMBL13019922 0.81 KIF11 (0.40) KIF11CYP3A4MAPTL3MBTL1KDM4E
SCHEMBL10681669 0.81 RORA (0.55) KIF11ACHEALDH1A1CA1CA2
SCHEMBL14920642 0.80 ALDH1A1 (0.50) KIF11ACHEALDH1A1CA1CA2
SCHEMBL12251531 0.79 L3MBTL1 (0.55) ALDH1A1CYP3A4MAPTL3MBTL1PDK2
SCHEMBL13019627 0.79 PTPN5 (0.47) ALDH1A1CYP3A4NPSR1MAPTPDK2

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-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-12-30 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-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES DDT, ACHE, TPM3 KIF11 4025/4885ACHE 2/4885ALDH1A1 391/4885

“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.