SCHEMBL21136384

SCHEMBL21136384

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

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
CNR1 P21554 2/20 0.33
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.31
EPHX2 P34913 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
PDK1 Q15118 1/20 0.30
PDK2 Q15119 1/20 0.30
PDK3 Q15120 1/20 0.30
PDK4 Q16654 1/20 0.30
RECQL P46063 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
SCHEMBL21136016 0.80 CES2 (0.32) CES2CES1ALDH1A1EPHX2PDK1
SCHEMBL21135921 0.76 CYP19A1 (0.38) TSHRALDH1A1
SCHEMBL21136600 0.74 POLB (0.36) TSHRALDH1A1
SCHEMBL12919719 0.74 ALDH1A1 (0.44) CES2CES1CNR1TSHRALDH1A1
SCHEMBL21136606 0.73 SMN1; SMN2 (0.34) CES2CES1TSHRALDH1A1EPHX2
SCHEMBL21136396 0.72 NAAA (0.36) CES2CES1CNR1TSHRALDH1A1
SCHEMBL7599626 0.72 LMNA (0.36) CES2CES1CNR1ALDH1A1
SCHEMBL21136389 0.71 CES2 (0.37) CES2CES1CNR1TSHRALDH1A1
SCHEMBL21136022 0.71 ADH1B (0.31) PDK1PDK2PDK3PDK4
SCHEMBL11991254 0.70 LMNA (0.34) TSHRALDH1A1

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 1746/4885CNR1 4616/4885

“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.