SCHEMBL4820429

SCHEMBL4820429

CC12CCOC(=O)C1CCC2O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.42
OPRK1 P41145 1/20 0.41
LMNA P02545 1/20 0.35
CYP2C9 P11712 1/20 0.35
SHBG P04278 2/20 0.34
ESR1 P03372 6/20 0.33
ESR2 Q92731 6/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
SERPINA6 P08185 1/20 0.33
NR3C2 P08235 1/20 0.33
CYP3A4 P08684 1/20 0.33
AR P10275 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MGAM O43451 1/20 0.33

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
SCHEMBL13273199 0.74 OPRK1 (0.46) CYP19A1OPRK1LMNACYP2C9
SCHEMBL4689566 0.71 OPRK1 (0.44) OPRK1
SCHEMBL4689423 0.70 OPRK1 (0.41) OPRK1
SCHEMBL27694874 0.69 CYP19A1 (0.51) CYP19A1SHBGESR1ESR2NR3C1
SCHEMBL4686489 0.67 LMNA (0.34) OPRK1LMNACYP2C9
SCHEMBL16661802 0.67 CYP19A1 (0.41) CYP19A1SHBGESR1ESR2NR3C1
SCHEMBL1395493 0.67 OPRK1 (0.50) OPRK1
SCHEMBL28473238 0.62 LMNA (0.44) CYP19A1LMNACYP2C9
SCHEMBL22877663 0.62 LMNA (0.44) CYP19A1LMNACYP2C9
SCHEMBL22877665 0.62 LMNA (0.44) CYP19A1LMNACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7339014-B2 (Meth)acrylate, raw material alcohol for the (meth)acrylate, method of producing the (meth)acrylate and the alcohol, polymer produced by polymerizing the (meth)acrylate, chemically amplified resist composition, and method of the formation of a pattern MITSUBISHI RAYON CO., LTD. (JP) 2008-03-04 US disclosed
US-7041838-B2 (Meth)acrylate esters, starting alcohols for the preparation thereof, processes for preparing both, polymers of the esters, chemically amplifiable resist compositions, and method for forming patterns MITSUBISHI RAYON CO., LTD. (JP) 2006-05-09 US disclosed
US-20050113538-A1 (Meth)acrylate, raw material alcohol for the (meth)acrylate, method of producing the (meth)acrylate and the alcohol, polymer produced by polymerizing the (meth)acrylate, chemically amplified resist composition, and method of the formation of a pattern MITSUBISHI RAYON CO.,LTD. (JP) 2005-05-26 US disclosed
US-20040063882-A1 (Meth)acrylate esters, starting alcohols for the preparation thereof, processes for preparing both, polymers of the esters, chemically amplifiable resist compositions, and method for forming patterns MITSUBISHI CHEMICAL CORPORATION (JP) 2004-04-01 US disclosed
EP-1352904-A1 (METH)ACRYLATE ESTERS, STARTING ALCOHOLS FOR THE PREPARATION THEREOF, PROCESSES FOR PREPARING BOTH, POLYMERS OF THE ESTERS, CHEMICALLY AMPLIFIABLE RESIST COMPOSITIONS, AND METHOD FOR FORMING PATTERNS Mitsubishi Rayon Co., Ltd. (JP) 2003-10-15 EP 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-20040063882-A1 (Meth)acrylate esters, starting alcohols for the preparation thereof, processes for preparing both, polymers of the esters, chemically amplifiable resist compositions, and method for forming patterns ADH1A, ADH1C, ADH5 CYP19A1 1129/4885OPRK1 2112/4885LMNA 1670/4885

“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.