SCHEMBL4411130

SCHEMBL4411130

CC(C)n1nnnc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL25009055 0.85 CYP1A2 (0.37) CYP1A2POLBCYP2C19TDP1ALDH1A1
SCHEMBL4404213 0.83 CYP1A2 (0.36) CYP1A2POLBCYP2C19TDP1ALDH1A1
SCHEMBL4410852 0.80 CYP1A2 (0.39) CYP1A2POLBCYP2C19TDP1ALDH1A1
SCHEMBL4404572 0.78 CYP1A2 (0.42) CYP1A2POLBCYP2C19TDP1ALDH1A1
SCHEMBL14417046 0.77 POLB (0.37) CYP1A2POLBCYP2C19TDP1ALDH1A1
SCHEMBL4416627 0.75 CYP1A2 (0.40) CYP1A2POLBCYP2C19TDP1ALDH1A1
SCHEMBL12988914 0.72 KMT2A (0.33) CYP1A2ALDH1A1
SCHEMBL4400334 0.70
SCHEMBL4413261 0.69 CNR2 (0.39) ALDH1A1
SCHEMBL4406913 0.67 ALDH1A1 (0.32) ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024133426-A1 METHOD FOR CONTROLLING DIAMIDE RESISTANT PESTS AND COMPOUNDS THEREFOR SYNGENTA CROP PROTECTION AG (CH) 2024-06-27 WO disclosed
US-11820773-B2 Tricyclic compounds ALIGOS THERAPEUTICS, INC. (US) 2023-11-21 US disclosed
WO-2023012081-A1 METHOD FOR CONTROLLING DIAMIDE RESISTANT PESTS & COMPOUNDS THEREFOR SYNGENTA CROP PROTECTION AG (CH) 2023-02-09 WO disclosed
US-20220169650-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2022-06-02 US disclosed
EP-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 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 (2 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-20220169650-A1 TRICYCLIC COMPOUNDS SLC10A1, PKD1, CEL CYP1A2 86/4885POLB 3198/4885CYP2C19 11/4885
US-11820773-B2 Tricyclic compounds SLC10A1, PKD1, CEL CYP1A2 86/4885POLB 3198/4885CYP2C19 11/4885

“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.