SCHEMBL21136016

SCHEMBL21136016

CC(C)C(C(=O)C1CCCCC1)(C(F)(F)F)S(=O)(=O)O

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
ENPP3 O14638 1/20 0.32
ENPP1 P22413 1/20 0.32
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
EPHX2 P34913 1/20 0.30

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
SCHEMBL21136384 0.80 CES2 (0.34) CES2CES1PDK1PDK2PDK3
SCHEMBL21136024 0.77 CYP19A1 (0.37)
SCHEMBL12919719 0.71 ALDH1A1 (0.44) CES2CES1ALDH1A1SMN1; SMN2
SCHEMBL21136606 0.71 SMN1; SMN2 (0.34) CES2CES1ALDH1A1SMN1; SMN2EPHX2
SCHEMBL21136396 0.70 NAAA (0.36) CES2CES1ENPP3ENPP1PDK1
SCHEMBL21136389 0.69 CES2 (0.37) CES2CES1ALDH1A1SMN1; SMN2
SCHEMBL21136022 0.68 ADH1B (0.31) PDK1PDK2PDK3PDK4
SCHEMBL21136388 0.68 NAAA (0.37) CES2CES1ENPP3ENPP1ALDH1A1
SCHEMBL22441152 0.67 CES2 (0.42) CES2CES1ALDH1A1SMN1; SMN2
SCHEMBL7599626 0.67 LMNA (0.36) CES2CES1ALDH1A1SMN1; SMN2

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-20190196326-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, RESIST FILM, PATTERN FORMING METHOD, AND METHOD OF MANUFACTURING ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2019-06-27 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-20190196326-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, RESIST FILM, PATTERN FORMING METHOD, AND METHOD OF MANUFACTURING ELECTRONIC DEVICE RER1, ACTR5, RAD51 CES2 1542/4885CES1 1746/4885ENPP3 684/4885

“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.