SCHEMBL21135964

SCHEMBL21135964

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 2/20 0.41
GABBR1 Q9UBS5 2/20 0.41
GABRB1 P18505 1/20 0.37
GABRB2 P47870 1/20 0.37
CA2 P00918 1/20 0.37
ALDH1A1 P00352 4/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.35
HSD11B1 P28845 1/20 0.34
LMNA P02545 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
EPHX1 P07099 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL16724520 0.78 ALDH1A1 (0.40) GABBR2GABBR1GABRB1GABRB2ALDH1A1
SCHEMBL21135778 0.74 GABBR2 (0.38) GABBR2GABBR1GABRB1GABRB2ALDH1A1
SCHEMBL21136587 0.74 ALDH1A1 (0.43) CA2ALDH1A1NPSR1
SCHEMBL21135972 0.72 GABBR2 (0.39) GABBR2GABBR1GABRB1GABRB2CA2
SCHEMBL21135963 0.72 GABBR2 (0.36) GABBR2GABBR1GABRB1GABRB2ALDH1A1
SCHEMBL17410591 0.71 CYP17A1 (0.40) GABBR2GABBR1ALDH1A1MAPTNPSR1
SCHEMBL120312 0.71 CYP17A1 (0.44) GABBR2GABBR1CA2ALDH1A1MAPT
SCHEMBL11991323 0.70 CYP17A1 (0.42) ALDH1A1MAPTNPSR1EPHX1
SCHEMBL21135965 0.70 GABBR2 (0.35) GABBR2GABBR1GABRB1GABRB2ALDH1A1
SCHEMBL21135969 0.70 GABBR2 (0.35) GABBR2GABBR1GABRB1GABRB2ALDH1A1

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 2031/4885GABRB1 1948/4885

“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.