SCHEMBL13096844

SCHEMBL13096844

CCC(=O)C(C)(C)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.36
CES1 P23141 6/20 0.34
CES2 O00748 4/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
FFAR3 O14843 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LIPA P38571 1/20 0.31

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
SCHEMBL16772861 0.82 ALDH1A1 (0.41) FAAHCES1CES2TDP1FFAR3
SCHEMBL23009371 0.80 TDP1 (0.39) FAAHCES1CES2MEN1CYP1A2
SCHEMBL23009526 0.80 LIPA (0.32) FAAHCES1CES2MEN1CYP1A2
SCHEMBL27872049 0.77
SCHEMBL12424406 0.77 TDP1 (0.37) TDP1FFAR3ALDH1A1
SCHEMBL810063 0.77
SCHEMBL10176683 0.76 TRPA1 (0.36) FAAHLIPA
SCHEMBL13545176 0.76 PDK1 (0.35) FAAHCES1CES2MEN1CYP1A2
SCHEMBL8383362 0.76 PDK1 (0.35) FAAHCES1CES2MEN1CYP1A2
SCHEMBL3923809 0.76 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230025932-A1 NOVEL FUNCTIONALIZED LACTONES AS MODULATORS OF THE 5-HYDROXYTRYPTAMINE RECEPTOR 7 AND THEIR METHOD OF USE PRAEVENTIX, LLC 2023-01-26 US disclosed
US-20100267707-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. (US) 2010-10-21 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 (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-20100267707-A1 Tyrosine Kinase Inhibitors ABL1, ERBB2, MET FAAH 4717/4885CES1 4009/4885CES2 3644/4885
US-20230025932-A1 NOVEL FUNCTIONALIZED LACTONES AS MODULATORS OF THE 5-HYDROXYTRYPTAMINE RECEPTOR 7 AND THEIR METHOD OF USE HTR7, HTR2C, HTR3A FAAH 115/4885CES1 1153/4885CES2 549/4885

“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.