SCHEMBL853456

SCHEMBL853456

CCC(=O)OCC(=O)OC1(CC)C2CC3CC(C2)CC1C3

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.33
CYP17A1 P05093 1/20 0.32
CYP19A1 P11511 1/20 0.32
ALDH1A1 P00352 3/20 0.31
LMNA P02545 1/20 0.31
NAAA Q02083 1/20 0.30
THRB P10828 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
SCHEMBL949011 0.89 EPHX2 (0.33) EPHX2CYP17A1CYP19A1ALDH1A1LMNA
SCHEMBL172815 0.88 CYP17A1 (0.35) CYP17A1CYP19A1ALDH1A1LMNATHRB
SCHEMBL952413 0.88 EPHX2 (0.34) EPHX2CYP17A1CYP19A1
SCHEMBL951505 0.88 TRPA1 (0.39) EPHX2CYP17A1CYP19A1ALDH1A1
SCHEMBL853476 0.87 EPHX2 (0.34) EPHX2ALDH1A1NAAATHRB
SCHEMBL853162 0.84 EPHX2 (0.37) EPHX2ALDH1A1NAAATHRB
SCHEMBL854491 0.84 ALDH1A1 (0.35) EPHX2CYP17A1CYP19A1ALDH1A1
SCHEMBL854489 0.84 CYP17A1 (0.45) EPHX2CYP17A1CYP19A1ALDH1A1LMNA
SCHEMBL2603148 0.83 HSD11B1 (0.33) CYP17A1CYP19A1ALDH1A1
SCHEMBL12705265 0.83 ALDH1A1 (0.34) EPHX2ALDH1A1

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-8486606-B2 Acrylate derivative, haloester derivative, polymer compound and photoresist composition KURARAY CO., LTD. (JP) 2013-07-16 US disclosed
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-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 EPHX2 4018/4885CYP17A1 1742/4885CYP19A1 505/4885
US-20090162788-A1 NOVEL COMPOUND AND METHOD OF PRODUCING THE SAME, ACID GENERATOR, RESIST COMPOSITION AND METHOD OF FORMING RESIST PATTERN RER1, ASIC1, GLRA1 EPHX2 252/4885CYP17A1 559/4885CYP19A1 113/4885

“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.