SCHEMBL3979172

SCHEMBL3979172

CC(C)C1CCCC(CCC=O)C1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
ADH7 P40394 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
SCHEMBL16191176 0.82 SHBG (0.31)
SCHEMBL27726400 0.81 ADH1B (0.31) ADH1BADH1CADH1AADH4ADH7
SCHEMBL11241143 0.79
SCHEMBL1901885 0.77
SCHEMBL16191110 0.77 CYP1A2 (0.40)
SCHEMBL21153461 0.77 CYP1A2 (0.35)
SCHEMBL7881825 0.76 SLC6A12 (0.36)
SCHEMBL3020365 0.76
Methane SCHEMBL2401725 0.76
SCHEMBL3234976 0.76 ADH1B (0.36) ADH1BADH1CADH1AADH4ADH7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108025194-B Fragrant component of Qingxiang and Suzuan blue 弗门尼舍有限公司 2021-10-22 CN disclosed
EP-3349862-B1 A GREEN, LILY OF THE VALLEY PERFUMING INGREDIENT FIRMENICH & CIE (CH) 2019-09-04 EP disclosed
US-10100267-B1 Green, lily of the valley perfuming ingredient FIRMENICH SA (CH) 2018-10-16 US disclosed
US-20180282660-A1 A GREEN, LILY OF THE VALLEY PERFUMING INGREDIENT FIRMENICH SA (CH) 2018-10-04 US disclosed
EP-3349862-A1 A GREEN, LILY OF THE VALLEY PERFUMING INGREDIENT Firmenich SA (CH) 2018-07-25 EP disclosed
WO-2017046071-A1 A GREEN, LILY OF THE VALLEY PERFUMING INGREDIENT FIRMENICH SA (CH) 2017-03-23 WO disclosed
US-7511001-B2 Substituted cyclohexyl propanal compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2009-03-31 US disclosed
US-7511001-B2 Substituted cyclohexyl propanal compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2009-03-31 US disclosed
US-7511001-B2 Substituted cyclohexyl propanal compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2009-03-31 US disclosed
US-20090036347-A1 SUBSTITUTED CYCLOHEXYL PROPANAL COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2009-02-05 US disclosed
US-20090036347-A1 SUBSTITUTED CYCLOHEXYL PROPANAL COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2009-02-05 US disclosed
US-20090036347-A1 SUBSTITUTED CYCLOHEXYL PROPANAL COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2009-02-05 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 (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-20090036347-A1 SUBSTITUTED CYCLOHEXYL PROPANAL COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS CUTA, NOTUM, CRAT ADH1B 1258/4885ADH1C 1332/4885ADH1A 946/4885
US-10100267-B1 Green, lily of the valley perfuming ingredient CYCS, ACLY, CYC1 ADH1B 3019/4885ADH1C 530/4885ADH1A 1495/4885
US-20180282660-A1 A GREEN, LILY OF THE VALLEY PERFUMING INGREDIENT CYCS, ACLY, CYC1 ADH1B 2508/4885ADH1C 404/4885ADH1A 1115/4885

“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.