SCHEMBL14701774

SCHEMBL14701774

CC(F)(F)C(=O)OCC(C)(O)C(=O)OC12CC3CC(CC(O)(C3)C1)C2

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.33
CYP19A1 P11511 1/20 0.33
MDH1 P40925 1/20 0.32
MDH2 P40926 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD11B1 P28845 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL14701762 0.88 CYP19A1 (0.40) CYP17A1CYP19A1ALDH1A1NPSR1
SCHEMBL14704021 0.88 MDH1 (0.32) MDH1MDH2
SCHEMBL776275 0.86 CYP17A1 (0.36) CYP17A1CYP19A1MDH1MDH2ALDH1A1
SCHEMBL14701771 0.85 MDH1 (0.32) CYP17A1CYP19A1MDH1MDH2ALDH1A1
SCHEMBL686291 0.82 ALDH1A1 (0.36) CYP17A1CYP19A1MDH1MDH2ALDH1A1
SCHEMBL25739907 0.82 HSD11B1 (0.37) CYP17A1CYP19A1MDH1MDH2ALDH1A1
SCHEMBL14701801 0.82 MDH1 (0.35) CYP17A1CYP19A1MDH1MDH2ALDH1A1
SCHEMBL12093466 0.81 CYP17A1 (0.34) CYP17A1CYP19A1MDH1MDH2ALDH1A1
SCHEMBL14704050 0.81 MDH1 (0.32) MDH1MDH2
SCHEMBL776067 0.80 MDH1 (0.36) CYP17A1CYP19A1MDH1MDH2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051251-B2 Salt, photoresist composition and method for producing photoresist pattern SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-06-09 US disclosed
US-20130040237-A1 SALT, PHOTORESIST COMPOSITION AND METHOD FOR PRODUCING PHOTORESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-02-14 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-20130040237-A1 SALT, PHOTORESIST COMPOSITION AND METHOD FOR PRODUCING PHOTORESIST PATTERN F12, C1S, FRG1 CYP17A1 2059/4885CYP19A1 2743/4885MDH1 4648/4885

“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.