SCHEMBL853982

SCHEMBL853982

CC(C)C(=O)OCCOCC(=O)OC1(C)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.40
CHRM2 P08172 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
CHRM4 P08173 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 2/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL824236 0.87 CYP19A1 (0.37) CYP19A1CHRM2CHRM1CHRM3CHRM4
SCHEMBL10226379 0.86 CYP19A1 (0.44) CYP19A1
SCHEMBL10192989 0.84 CYP19A1 (0.42) CYP19A1
SCHEMBL853995 0.84 CYP19A1 (0.40) CYP19A1CHRM2CHRM1
SCHEMBL2611943 0.83 CHRM2 (0.32) CHRM2CHRM1CHRM3CHRM4TDP1
SCHEMBL14982806 0.80 THRB (0.47) CYP19A1
SCHEMBL47436 0.78 CYP19A1 (0.36) CYP19A1
SCHEMBL14984088 0.76 CYP19A1 (0.35) CYP19A1
SCHEMBL11954350 0.75 CYP19A1 (0.40) CYP19A1
SCHEMBL14252112 0.75 CYP19A1 (0.40) CYP19A1

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 7 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-20120094236-A1 RESIST COMPOSITION FOR IMMERSION EXPOSURE, METHOD OF FORMING RESIST PATTERN, AND FLUORINE-CONTAINING POLYMERIC COMPOUND SHIONO DAIJU (JP) 2012-04-19 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-8012669-B2 Resist composition and method of forming resist pattern TOKYO OHKA KOGYO CO., LTD. (JP) 2011-09-06 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-20090226842-A1 RESIST COMPOSITION AND METHOD OF FORMING RESIST PATTERN TOKYO OHKA KOGYO CO., LTD. (JP) 2009-09-10 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-20100168358-A1 FLUORINE-CONTAINING COMPOUND AND POLYMERIC COMPOUND AFF1, AFF2, FLI1 CYP19A1 505/4885CHRM2 2769/4885CHRM1 974/4885

“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.