SCHEMBL21135968

SCHEMBL21135968

O=C(C12CC3CC(CC(C3)C1)C2)C(F)(CC1CCCCC1)S(=O)(=O)O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD11B1 P28845 3/20 0.33
EPHX2 P34913 2/20 0.33
GABBR2 O75899 2/20 0.32
GABBR1 Q9UBS5 2/20 0.32
GABRB1 P18505 1/20 0.32
GABRB2 P47870 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
GRM2 Q14416 1/20 0.31
GRM3 Q14832 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PKM P14618 1/20 0.31
HTT P42858 1/20 0.31
GAA P10253 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
SCHEMBL21135714 0.78 ALDH1A1 (0.37) EPHX1ALDH1A1MAPTNPSR1EPHX2
SCHEMBL21135778 0.78 GABBR2 (0.38) ALDH1A1MAPTNPSR1HSD11B1GABBR2
SCHEMBL21135965 0.77 GABBR2 (0.35) EPHX1ALDH1A1EPHX2GABBR2GABBR1
SCHEMBL21135963 0.75 GABBR2 (0.36) ALDH1A1MAPTHSD11B1EPHX2GABBR2
SCHEMBL21135972 0.75 GABBR2 (0.39) ALDH1A1MAPTNPSR1HSD11B1GABBR2
SCHEMBL21135976 0.74 HDAC6 (0.34) EPHX1ALDH1A1HSD11B1GRM2GRM3
SCHEMBL21135969 0.74 GABBR2 (0.35) EPHX1ALDH1A1HSD11B1EPHX2GABBR2
SCHEMBL21135984 0.73 EPHX1 (0.36) EPHX1GRM2GRM3
SCHEMBL21135980 0.73 HDAC6 (0.33) ALDH1A1NPSR1HSD11B1LMNAGRM2
SCHEMBL16724520 0.72 ALDH1A1 (0.40) EPHX1ALDH1A1NPSR1HSD11B1GABBR2

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 EPHX1 139/4885ALDH1A1 1556/4885MAPT 352/4885

“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.