SCHEMBL21136020

SCHEMBL21136020

O=S(=O)(O)C(F)(C1CCCCC1)C1CCCC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.33
CA2 P00918 2/20 0.33
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA12 O43570 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
NR1I2 O75469 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
SCHEMBL3874080 0.81 ALDH1A1 (0.32) CA1ALDH1A1L3MBTL1CA12CA7
SCHEMBL3870823 0.78 ALDH1A1 (0.33) ALDH1A1L3MBTL1
SCHEMBL3873350 0.77 ALDH1A1 (0.30) ALDH1A1L3MBTL1
SCHEMBL21135960 0.77 PDK1 (0.35) ALDH1A1L3MBTL1
SCHEMBL3870030 0.74 ALDH1A1 (0.31) ALDH1A1L3MBTL1
SCHEMBL21135703 0.74 PDK1 (0.32) ALDH1A1L3MBTL1
SCHEMBL12307785 0.74 PDK1 (0.33)
SCHEMBL21136022 0.74 ADH1B (0.31)
SCHEMBL3871057 0.73 ALDH1A1 (0.33) ALDH1A1L3MBTL1
SCHEMBL21135779 0.73

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 CA1 3959/4885CA2 4740/4885ALDH1A1 1556/4885

“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.