SCHEMBL1895073

SCHEMBL1895073

CCC1CCC(CCC=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 2/20 0.35
CYP1A2 P05177 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
SCHEMBL8454463 0.94 ALDH1A1 (0.33) ALDH1A1MAPK1TDP1TSHR
SCHEMBL8454469 0.94 ALDH1A1 (0.33) ALDH1A1MAPK1TDP1TSHR
SCHEMBL8454475 0.94 ALDH1A1 (0.33) ALDH1A1MAPK1TDP1TSHR
SCHEMBL8456601 0.90 ALDH1A1 (0.31) ALDH1A1
SCHEMBL8456603 0.90 ALDH1A1 (0.31) ALDH1A1
SCHEMBL98083 0.87
SCHEMBL2913315 0.86 ALDH1A1 (0.43) ALDH1A1MAPK1TDP1TSHRCYP1A2
SCHEMBL1894593 0.86 ALDH1A1 (0.43) ALDH1A1MAPK1TDP1TSHRCYP1A2
SCHEMBL8456600 0.85 THRA (0.34) MAPK1
SCHEMBL8456602 0.85 THRA (0.34) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2322495-B1 Novel 4-alkyl cyclohexanepropanal compounds and their use in perfume compositions INT FLAVORS & FRAGRANCES INC (US) 2013-01-02 EP claimed
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
CN-102115434-A Novel 4-alkyl cyclohexanepropanal compounds and their use in perfume compositions INT FLAVORS & FRAGRANCES INC 2011-07-06 CN 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
EP-2322495-A1 Novel 4-alkyl cyclohexanepropanal compounds and their use in perfume compositions International Flavors & Fragrances Inc. (US) 2011-05-18 EP claimed
US-7834219-B1 4-alkyl cyclohexanepropanal compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2010-11-16 US claimed
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
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-8188023-B2 4-alkyl cyclohexanepropanal compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2012-05-29 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
US-7834219-B1 4-alkyl cyclohexanepropanal compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2010-11-16 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-20110117046-A1 NOVEL 4-ALKYL CYCLOHEXANEPROPANAL COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS TRPA1, FAAH2, FAAH ALDH1A1 296/4885MAPK1 4702/4885TDP1 3947/4885

“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.