SCHEMBL1898751

SCHEMBL1898751

CCCCC1CCC(CCC=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.52
TSHR P16473 2/20 0.48
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
MAPT P10636 1/20 0.42
FAAH O00519 2/20 0.40
TRPV1 Q8NER1 2/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
PKM P14618 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NAAA Q02083 1/20 0.34
ADH1B P00325 1/20 0.33
ADH1C P00326 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
SCHEMBL10843803 1.00 CYP1A2 (0.52) CYP1A2TSHRHTTLMNAMAPK1
SCHEMBL9159426 0.94 TSHR (0.48) CYP1A2TSHRHTTLMNAMAPK1
SCHEMBL9159434 0.94 TSHR (0.48) CYP1A2TSHRHTTLMNAMAPK1
SCHEMBL19722210 0.88 TSHR (0.43) CYP1A2TSHRHTTLMNAMAPK1
SCHEMBL1894593 0.86 ALDH1A1 (0.43) CYP1A2TSHRLMNAMAPK1MAPT
SCHEMBL2913315 0.86 ALDH1A1 (0.43) CYP1A2TSHRLMNAMAPK1MAPT
SCHEMBL7901823 0.84 TSHR (0.37) CYP1A2TSHRHTTLMNAMAPK1
SCHEMBL7901831 0.84 TSHR (0.37) CYP1A2TSHRHTTLMNAMAPK1
SCHEMBL98083 0.83
SCHEMBL8753758 0.83 CYP1A2 (0.52) CYP1A2TSHRHTTLMNAMAPK1

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-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
US-20110117046-A1 NOVEL 4-ALKYL CYCLOHEXANEPROPANAL COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2011-05-19 US claimed
EP-3707228-B1 ALDEHYDIC ODORANT FIRMENICH & CIE (CH) 2024-09-11 EP disclosed
CN-111587284-B Aldehyde odor agent 弗门尼舍有限公司 2024-05-17 CN disclosed
US-11530367-B2 Aldehydic odorant FIRMENICH SA (CH) 2022-12-20 US disclosed
US-20210095225-A1 Aldehydic Odorant FIRMENICH SA (CH) 2021-04-01 US disclosed
CN-111587284-A Aldehyde odorant 弗门尼舍有限公司 2020-08-25 CN 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
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
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
US-4595521-A In liquid crystalline carrier HOFFMANN-LA ROCHE INC. (US) 1986-06-17 US disclosed
EP-0111695-A2 Pyridazine derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-06-27 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 (3 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-11530367-B2 Aldehydic odorant ADH1A, ADH5, ADH1C CYP1A2 121/4885TSHR 4785/4885HTT 3209/4885
US-20110117046-A1 NOVEL 4-ALKYL CYCLOHEXANEPROPANAL COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS TRPA1, FAAH2, FAAH CYP1A2 192/4885TSHR 4860/4885HTT 3483/4885
US-20210095225-A1 Aldehydic Odorant ADH1A, ADH5, ADH1C CYP1A2 121/4885TSHR 4785/4885HTT 3209/4885

“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.