SCHEMBL132001

SCHEMBL132001

CCC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2)C(=O)OC12CC3CC(CC(O)(C3)C1)C2)C(=O)OC12CC3CC(CC(O)(C3)C1)C2)C(=O)OC12CC3CC(CC(O)(C3)C1)C2)C(=O)OC12CC3CC(CC(O)(C3)C1)C2)C(=O)OC12CC3CC(CC(O)(C3)C1)C2)C(=O)OC12CC3CC(CC(O)(C3)C1)C2)C(=O)OC12CC3CC(CC(O)(C3)C1)C2)C(=O)OC12CC3CC(CC(O)(C3)C1)C2)C(=O)OC12CC3CC(CC(O)(C3)C1)C2)C(=O)OC12CC3CC(CC(O)(C3)C1)C2)C(=O)OC12CC3CC(CC(O)(C3)C1)C2)C(=O)OC12CC3CC(CC(O)(C3)C1)C2)C(=O)OC12CC3CC(CC(O)(C3)C1)C2)C(=O)OC12CC3CC(CC(O)(C3)C1)C2)C(=O)OC12CC3CC(CC(O)(C3)C1)C2)C(=O)OC12CC3CC(CC(O)(C3)C1)C2)C(=O)OC12CC3CC(CC(O)(C3)C1)C2)C(=O)OC12CC3CC(CC(O)(C3)C1)C2)C(=O)OC12CC3CC(CC(O)(C3)C1)C2

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MDH1 P40925 1/20 0.34
MDH2 P40926 1/20 0.34
HSD11B1 P28845 2/20 0.33
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
CYP17A1 P05093 1/20 0.31
CYP19A1 P11511 1/20 0.31
DPP4 P27487 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL18308571 1.00 MDH1 (0.34) MDH1MDH2HSD11B1DPP8DPP9
SCHEMBL12304939 1.00 MDH1 (0.34) MDH1MDH2HSD11B1DPP8DPP9
SCHEMBL11985998 0.97 MDH1 (0.35) MDH1MDH2HSD11B1DPP8DPP9
SCHEMBL132070 0.90
SCHEMBL16865927 0.90
SCHEMBL14253578 0.90 CYP17A1 (0.33) MDH1MDH2CYP17A1CYP19A1
SCHEMBL13847331 0.89 MDH1 (0.40) MDH1MDH2HSD11B1DPP8DPP9
SCHEMBL11966898 0.88 HSD11B1 (0.38) MDH1MDH2HSD11B1DPP8DPP9
SCHEMBL18308561 0.87 CYP19A1 (0.40) CYP17A1CYP19A1ALDH1A1
SCHEMBL132052 0.87 CYP19A1 (0.40) CYP17A1CYP19A1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015297-A1 RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN, NOVEL COMPOUND, AND ACID GENERATOR TOKYO OHKA KOGYO.CO., LTD. (JP) 2012-01-19 US disclosed
US-20120015299-A1 RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN, NOVEL COMPOUND, AND ACID GENERATOR TOKYO OHKA KOGYO CO., LTD. (JP) 2012-01-19 US disclosed
US-20100330499-A1 METHODS OF FORMING ELECTRONIC DEVICES ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2010-12-30 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 (2 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-20120015299-A1 RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN, NOVEL COMPOUND, AND ACID GENERATOR RER1, ASIC1, ABCC1 MDH1 2317/4885MDH2 1011/4885HSD11B1 888/4885
US-20120015297-A1 RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN, NOVEL COMPOUND, AND ACID GENERATOR ASIC1, SLC11A2, RER1 MDH1 1983/4885MDH2 807/4885HSD11B1 391/4885

“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.