SCHEMBL854491

SCHEMBL854491

CCC1(OC(=O)COC(=O)C(C)C)C2CC3CC(C2)CC1C3

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
EPHX2 P34913 1/20 0.32
CYP17A1 P05093 1/20 0.30
CYP19A1 P11511 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
SCHEMBL824303 0.88 ALDH1A1 (0.36) ALDH1A1EPHX2
SCHEMBL12705280 0.88 ALDH1A1 (0.33) ALDH1A1EPHX2
SCHEMBL2611763 0.88 EPHX2 (0.31) EPHX2
SCHEMBL12705265 0.87 ALDH1A1 (0.34) ALDH1A1EPHX2
SCHEMBL19418035 0.86
SCHEMBL9608680 0.85 ALDH1A1 (0.33) ALDH1A1CYP17A1CYP19A1
SCHEMBL12705288 0.85 ALDH1A1 (0.32) ALDH1A1
SCHEMBL853456 0.84 EPHX2 (0.33) ALDH1A1EPHX2CYP17A1CYP19A1
SCHEMBL19261184 0.84 ALDH1A1 (0.35) ALDH1A1EPHX2
SCHEMBL949011 0.83 EPHX2 (0.33) ALDH1A1EPHX2CYP17A1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324331-B2 Fluorine-containing compound and polymeric compound DAITO CHEMIX CORPORATION (JP) 2012-12-04 US disclosed
US-8263307-B2 Positive resist composition and method of forming resist pattern TOKYO OHKA KOGYO CO., LTD. (JP) 2012-09-11 US disclosed
US-20120077125-A1 RESIST COMPOSITION FOR IMMERSION EXPOSURE, METHOD OF FORMING RESIST PATTERN USING THE SAME, AND FLUORINE-CONTAINING COMPOUND TOKYO OHKA KOGYO CO., LTD. (JP) 2012-03-29 US disclosed
US-8142979-B2 Resist composition for immersion exposure and method of forming resist pattern using the same Tokyo Ohka Tokyo Co., Ltd. (JP) 2012-03-27 US disclosed
US-8021823-B2 Positive resist composition, method of forming resist pattern, and polymeric compound TOKYO OHKA KOGYO CO., LTD. (JP) 2011-09-20 US disclosed
US-7989138-B2 Fluorine-containing compound, resist composition for immersion exposure, and method of forming resist pattern TOKYO OHKA KOGYO CO., LTD. (JP) 2011-08-02 US disclosed
US-20100168358-A1 FLUORINE-CONTAINING COMPOUND AND POLYMERIC COMPOUND DAITO CHEMIX CORPORATION (JP) 2010-07-01 US disclosed
US-20090311627-A1 Resist composition for immersion exposure and method of forming resist pattern using the same TOKYO OHKA KOGYO CO., LTD. 2009-12-17 US disclosed
US-20090269701-A1 POSITIVE RESIST COMPOSITION AND METHOD OF FORMING RESIST PATTERN TOKYO OHKA KOGYO CO., LTD. (JP) 2009-10-29 US disclosed
US-20090214982-A1 POSITIVE RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN, AND POLYMERIC COMPOUND TOKYO OHKA KOGYO CO., LTD. (JP) 2009-08-27 US disclosed
US-20090162788-A1 NOVEL COMPOUND AND METHOD OF PRODUCING THE SAME, ACID GENERATOR, RESIST COMPOSITION AND METHOD OF FORMING RESIST PATTERN TOKYO OHKA KOGYO CO., LTD. (JP) 2009-06-25 US disclosed
US-20090142699-A1 FLUORINE-CONTAINING COMPOUND, RESIST COMPOSITION FOR IMMERSION EXPOSURE, AND METHOD OF FORMING RESIST PATTERN TOKYO OHKA KOGYO CO., LTD. (JP) 2009-06-04 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-20100168358-A1 FLUORINE-CONTAINING COMPOUND AND POLYMERIC COMPOUND AFF1, AFF2, FLI1 ALDH1A1 1407/4885EPHX2 4018/4885CYP17A1 1742/4885
US-20090162788-A1 NOVEL COMPOUND AND METHOD OF PRODUCING THE SAME, ACID GENERATOR, RESIST COMPOSITION AND METHOD OF FORMING RESIST PATTERN RER1, ASIC1, GLRA1 ALDH1A1 987/4885EPHX2 252/4885CYP17A1 559/4885

“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.