SCHEMBL7016818

SCHEMBL7016818

O=C(OC12CC3CC(C1)CC(c1ccccc1)(C3)C2)C(F)(F)S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
HSD11B1 P28845 5/20 0.43
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.41
PGR P06401 2/20 0.36
CYP17A1 P05093 1/20 0.35
CYP19A1 P11511 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL787066 0.88 MEN1 (0.48) HSD11B1LMNAALDH1A1MEN1KMT2A
SCHEMBL12727587 0.86 LMNA (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12727402 0.82 LMNA (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14294660 0.82 ALDH1A1 (0.35) ALDH1A1CYP17A1CYP19A1
SCHEMBL15014428 0.79 MEN1 (0.46) HSD11B1LMNAALDH1A1MEN1KMT2A
SCHEMBL18557936 0.77 LMNA (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24408978 0.77 L3MBTL1 (0.38) ALDH1A1KMT2AGAA
SCHEMBL10225060 0.77 TSHR (0.37) ALDH1A1CYP17A1CYP19A1
SCHEMBL786658 0.77 PKM (0.34) HSD11B1ALDH1A1CYP17A1CYP19A1
SCHEMBL25844979 0.76 CYP17A1 (0.36) CYP17A1CYP19A1

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-20120122034-A1 RESIN AND PHOTORESIST COMPOSITION COMPRISING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-17 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-20120122034-A1 RESIN AND PHOTORESIST COMPOSITION COMPRISING THE SAME C1R, RCOR3, SULT1E1 GRIN2D 499/4885GRIN3B 468/4885GRIN1 219/4885

“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.