SCHEMBL21136607

SCHEMBL21136607

COC(=O)CC(F)(OC(=O)C1CCCCC1)S(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 4/20 0.35
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
TP53 P04637 1/20 0.32
GLA P06280 1/20 0.32
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NAAA Q02083 1/20 0.31
HSD17B10 Q99714 1/20 0.30
ENPP3 O14638 1/20 0.30
ENPP1 P22413 1/20 0.30
ENPP2 Q13822 1/20 0.30
CA12 O43570 1/20 0.30
CA2 P00918 1/20 0.30
CA14 Q9ULX7 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
SCHEMBL21136611 0.86 ALDH1A1 (0.33) SMN1; SMN2ALDH1A1ADRB2ADRB1ADRB3
SCHEMBL21135767 0.82 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1ADRB2ADRB1ADRB3
SCHEMBL21136378 0.81 SMN1; SMN2 (0.33) EPHX2SMN1; SMN2ALDH1A1ADRB2ADRB1
SCHEMBL21136602 0.80 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1ADRB2ADRB1ADRB3
SCHEMBL21136608 0.78 ALDH1A1 (0.34) SMN1; SMN2ALDH1A1POLB
SCHEMBL21136394 0.77 EPHX2 (0.38) EPHX2SMN1; SMN2ALDH1A1GLATSHR
SCHEMBL21135769 0.77 GAA (0.35) ALDH1A1TSHRL3MBTL1HSD17B10CA12
SCHEMBL28669266 0.74 EPHX2 (0.40) EPHX2SMN1; SMN2ALDH1A1ADRB2ADRB1
SCHEMBL21136026 0.74 EPHX2 (0.40) EPHX2ALDH1A1GLATSHRL3MBTL1
SCHEMBL21136603 0.73 CES2 (0.33) SMN1; 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 EPHX2 252/4885SMN1; SMN2 3245/4885ALDH1A1 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.