SCHEMBL26037019

SCHEMBL26037019

CC(C)CC(C)(C(=O)OCCCCCCn1cc(-c2ccccc2C(F)(F)F)c(=O)[nH]c1=O)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TK2 O00142 10/20 0.38
TK1 P04183 1/20 0.36
CYP2C9 P11712 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
CYP1A2 P05177 3/20 0.33
CYP2C19 P33261 3/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PRKCB P05771 1/20 0.33
GSK3B P49841 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL26038642 0.90 TK2 (0.39) TK2TK1CYP2C9KMT2AMAPT
SCHEMBL26038680 0.88 TK2 (0.36) TK2TK1CYP2C9KMT2AMAPT
SCHEMBL26036942 0.87 DRD2 (0.41) TK2TK1CYP2C9KMT2AMAPT
SCHEMBL26037789 0.87 TK2 (0.42) TK2TK1CYP2C9KMT2AMAPT
SCHEMBL26038633 0.87 TK2 (0.42) TK2TK1CYP2C9KMT2AMAPT
SCHEMBL26037011 0.83 CYP2C9 (0.37) TK2TK1CYP2C9KMT2AMAPT
SCHEMBL26037015 0.83 CYP2C9 (0.38) TK2TK1CYP2C9KMT2AMAPT
SCHEMBL26036937 0.81 LMNA (0.46) TK2TK1CYP2C9KMT2AMAPT
SCHEMBL26037811 0.81 LMNA (0.46) TK2TK1CYP2C9KMT2AMAPT
SCHEMBL26037805 0.80 TK2 (0.49) TK2TK1CYP2C9KMT2AMAPT

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-20230273455-A1 OPTICALLY ACTIVE DEVICES JOHNSON & JOHNSON SURGICAL VISION INC (US) 2023-08-31 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-20230273455-A1 OPTICALLY ACTIVE DEVICES PDE6C, PDE6A, PDE6D TK2 3617/4885TK1 2438/4885CYP2C9 1630/4885

“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.