SCHEMBL21135972

SCHEMBL21135972

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 2/20 0.39
GABBR1 Q9UBS5 2/20 0.39
ALDH1A1 P00352 5/20 0.33
GABRB1 P18505 1/20 0.33
GABRB2 P47870 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD11B1 P28845 3/20 0.33
CA2 P00918 1/20 0.33
HTT P42858 1/20 0.33
DHFR P00374 1/20 0.32
POLB P06746 1/20 0.32
LMNA P02545 3/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GLA P06280 1/20 0.31

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
SCHEMBL21135778 0.84 GABBR2 (0.38) GABBR2GABBR1ALDH1A1GABRB1GABRB2
SCHEMBL21135772 0.84 CA12 (0.40) GABBR2GABBR1ALDH1A1CA2HTT
SCHEMBL21135963 0.82 GABBR2 (0.36) GABBR2GABBR1ALDH1A1GABRB1GABRB2
SCHEMBL21135965 0.80 GABBR2 (0.35) GABBR2GABBR1ALDH1A1GABRB1GABRB2
SCHEMBL21135966 0.78 ALDH1A1 (0.43) GABBR2GABBR1ALDH1A1SMN1; SMN2HSD11B1
SCHEMBL21135712 0.76 ALDH1A1 (0.43) ALDH1A1CA2
SCHEMBL21135968 0.75 EPHX1 (0.37) GABBR2GABBR1ALDH1A1GABRB1GABRB2
SCHEMBL21136610 0.75 CYP17A1 (0.39) GABBR2GABBR1ALDH1A1MAPTHSD11B1
SCHEMBL16724520 0.75 ALDH1A1 (0.40) GABBR2GABBR1ALDH1A1GABRB1GABRB2
SCHEMBL21136974 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 GABBR2 1946/4885GABBR1 2031/4885ALDH1A1 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.