SCHEMBL5680442

SCHEMBL5680442

C[CH]C1CCCC(CO)C1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.31
ESR2 Q92731 5/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL28898894 0.83
SCHEMBL14943960 0.83
SCHEMBL25702934 0.83
SCHEMBL30097899 0.82 ESR1 (0.32) ESR1ESR2CYP3A4CYP2D6CYP2C9
SCHEMBL5678569 0.80
SCHEMBL28306122 0.79 EPHX2 (0.37) ESR1ESR2CYP3A4CYP2D6CYP2C9
SCHEMBL5678610 0.79
SCHEMBL2909331 0.78 ADH1B (0.39) ESR1ESR2CYP3A4CYP2D6CYP2C9
SCHEMBL5680331 0.78
SCHEMBL28306060 0.77 EPHX2 (0.35) ESR1ESR2CYP3A4CYP2D6CYP2C9

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
EP-1184396-B1 (Meth)acrylate ester-based resin composition NIPPON CATALYTIC CHEM IND (JP) 2006-02-01 EP disclosed
US-6686413-B2 AQUEOUS DISPERSON OF A POLYMER CONTAINING UNITS OF A CYCLOHEXYLALKYL ESTER OF (METH)ACRYLIC ACID NIPPON SHOKUBAI CO., LTD. (JP) 2004-02-03 US disclosed
US-6489396-B2 A CYCLOHEXYL CONTAINING (METH)ACRYLIC ESTER-BASED POLYMER CROSSLINKED WITH A DI-FUNCTIONAL CROSSLINKING AGENT; LOW VISCOSITY RESIN FOR LOW VOLATILE ORGANIC COMPOUND (VOC)-PAINTS NIPPON SHOKUBAI CO., LTD. (JP) 2002-12-03 US disclosed
US-20020091197-A1 (Meth)acrylate ester-based resin composition NIPPON SHOKUBAI CO., LTD. (JP) 2002-07-11 US disclosed
EP-1205498-A1 (Meth)acrylate ester-based resin composition Nippon Shokubai Co., Ltd. (JP) 2002-05-15 EP disclosed
US-20020045702-A1 (Meth)acrylate ester-based resin composition NIPPON SHOKUBAI CO., LTD. (JP) 2002-04-18 US disclosed
EP-1184396-A1 (Meth)acrylate ester-based resin composition Nippon Shokubai Co., Ltd. (JP) 2002-03-06 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-20020045702-A1 (Meth)acrylate ester-based resin composition MNAT1, MAT1A, COPE ESR1 1004/4885ESR2 2314/4885CYP3A4 3122/4885

“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.