SCHEMBL1897478

SCHEMBL1897478

CC1CCC(CCC=O)CC1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL98083 0.87
SCHEMBL1894593 0.81 ALDH1A1 (0.43) ALDH1A1
SCHEMBL1895073 0.81 ALDH1A1 (0.38) ALDH1A1
SCHEMBL2913315 0.81 ALDH1A1 (0.43) ALDH1A1
SCHEMBL17629899 0.80 ANPEP (0.31)
SCHEMBL31412817 0.80 ANPEP (0.31)
SCHEMBL1892579 0.80 ANPEP (0.31)
SCHEMBL1898751 0.77 CYP1A2 (0.52) ALDH1A1
SCHEMBL10843803 0.77 CYP1A2 (0.52) ALDH1A1
SCHEMBL3020365 0.77

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2333038-B1 Novel 4-Alkyl Cyclohexanepropanal Compounds and their use in Perfume Compositions INT FLAVORS & FRAGRANCES INC (US) 2012-06-13 EP claimed
US-8188023-B2 4-alkyl cyclohexanepropanal compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2012-05-29 US claimed
EP-2333038-A1 Novel 4-Alkyl Cyclohexanepropanal Compounds and their use in Perfume Compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2011-06-15 EP claimed
CN-102070418-A Novel 4-alkyl cyclohexanepropanal compounds and their use in perfume compositions INT FLAVORS & FRAGRANCES INC 2011-05-25 CN claimed
US-20110117046-A1 NOVEL 4-ALKYL CYCLOHEXANEPROPANAL COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2011-05-19 US claimed
CN-118369306-A Enol ether pro-fragrances 弗门尼舍有限公司 2024-07-19 CN disclosed
US-8580146-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-11-12 US disclosed
EP-2322495-B1 Novel 4-alkyl cyclohexanepropanal compounds and their use in perfume compositions INT FLAVORS & FRAGRANCES INC (US) 2013-01-02 EP disclosed
EP-2322495-B1 Novel 4-alkyl cyclohexanepropanal compounds and their use in perfume compositions INT FLAVORS & FRAGRANCES INC (US) 2013-01-02 EP disclosed
US-20120193577-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-08-02 US disclosed
EP-2333038-B1 Novel 4-Alkyl Cyclohexanepropanal Compounds and their use in Perfume Compositions INT FLAVORS & FRAGRANCES INC (US) 2012-06-13 EP disclosed
EP-2333038-B1 Novel 4-Alkyl Cyclohexanepropanal Compounds and their use in Perfume Compositions INT FLAVORS & FRAGRANCES INC (US) 2012-06-13 EP disclosed
US-20110117046-A1 NOVEL 4-ALKYL CYCLOHEXANEPROPANAL COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2011-05-19 US disclosed
US-20110117046-A1 NOVEL 4-ALKYL CYCLOHEXANEPROPANAL COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2011-05-19 US disclosed
US-20110117046-A1 NOVEL 4-ALKYL CYCLOHEXANEPROPANAL COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2011-05-19 US disclosed
EP-2322495-A1 Novel 4-alkyl cyclohexanepropanal compounds and their use in perfume compositions International Flavors & Fragrances Inc. (US) 2011-05-18 EP disclosed
EP-2322495-A1 Novel 4-alkyl cyclohexanepropanal compounds and their use in perfume compositions International Flavors & Fragrances Inc. (US) 2011-05-18 EP disclosed
US-7834219-B1 4-alkyl cyclohexanepropanal compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2010-11-16 US disclosed
US-7834219-B1 4-alkyl cyclohexanepropanal compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2010-11-16 US disclosed
EP-1835009-A1 NEMATIC LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY UTILIZING THE SAME Dainippon Ink and Chemicals, Incorporated (JP) 2007-09-19 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 (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-20120193577-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, MARK3, CCND3 ALDH1A1 4082/4885
US-20110117046-A1 NOVEL 4-ALKYL CYCLOHEXANEPROPANAL COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS TRPA1, FAAH2, FAAH ALDH1A1 296/4885

“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.