SCHEMBL445276

SCHEMBL445276

CC=CC(=O)C1C(CC)=C(C)CCC1(C)C

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL445273 1.00 ALDH1A1 (0.31) ALDH1A1CYP3A4ALOX15TDP1
SCHEMBL11447481 0.81 CYP1A2 (0.32)
SCHEMBL11447479 0.81 CYP1A2 (0.32)
SCHEMBL9579824 0.77 LMNA (0.36) ALDH1A1ALOX15
SCHEMBL11686258 0.77
SCHEMBL3420691 0.73 ALDH1A1 (0.31) ALDH1A1
SCHEMBL3420692 0.73 ALDH1A1 (0.31) ALDH1A1
SCHEMBL11683311 0.71 ALDH1A1 (0.34) ALDH1A1TDP1
SCHEMBL11455548 0.71 ALDH1A1 (0.32) ALDH1A1CYP3A4ALOX15TDP1
SCHEMBL11455547 0.71 ALDH1A1 (0.32) ALDH1A1CYP3A4ALOX15TDP1

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
US-20190276469-A1 Cyclic Ketals As Fragrance Precursor Compounds HENKEL AG & CO. KGAA (DE) 2019-09-12 US claimed
EP-3523414-A1 CYCLIC KETALS AS FRAGRANCE PRECURSOR COMPOUNDS Henkel AG & Co. KGaA (DE) 2019-08-14 EP claimed
WO-2018095814-A1 CYCLIC KETALS AS FRAGRANCE PRECURSOR COMPOUNDS HENKEL AG & CO. KGAA (DE) 2018-05-31 WO claimed
EP-0953562-A1 Beta, gamma-unsaturated delta-keto esters Givaudan Roure (International) S.A. (CH) 1999-11-03 EP claimed
US-4018718-A 2-Ethyl-3,6,6-trimethyl-1-crotonyl-2-cyclohexene-type compounds and perfume compositions GIVAUDAN CORPORATION (US) 1977-04-19 US claimed
US-10941156-B2 Cyclic ketals as fragrance precursor compounds HENKEL AG & CO. KGAA (DE) 2021-03-09 US disclosed
US-20190276469-A1 Cyclic Ketals As Fragrance Precursor Compounds HENKEL AG & CO. KGAA (DE) 2019-09-12 US disclosed
EP-3523414-A1 CYCLIC KETALS AS FRAGRANCE PRECURSOR COMPOUNDS Henkel AG & Co. KGaA (DE) 2019-08-14 EP disclosed
WO-2018095814-A1 CYCLIC KETALS AS FRAGRANCE PRECURSOR COMPOUNDS HENKEL AG & CO. KGAA (DE) 2018-05-31 WO disclosed
US-20170349858-A1 PHOTOLABILE FRAGRANCE PRECURSOR COMPOUND HENKEL AG & CO. KGAA (DE) 2017-12-07 US disclosed
EP-3233781-A1 PHOTOLABILE FRAGRANCE PRECURSOR COMPOUND Henkel AG & Co. KGaA (DE) 2017-10-25 EP disclosed
WO-2016096539-A1 PHOTOLABILE FRAGRANCE PRECURSOR COMPOUND HENKEL AG & CO. KGAA (DE) 2016-06-23 WO disclosed
US-6258854-B1 KETONE ETHERS FOR ODORS GIVAUDAN ROURE ( INTERNATIONAL ) SA (CH) 2001-07-10 US disclosed
US-6222062-B1 USEFUL AS PRECURSORS FOR ORGANOLEPTIC COMPOUNDS, ESPECIALLY FOR FLAVORS, FRAGRANCES AND MASKING AGENTS AND ANTIMICROBIAL COMPOUNDS GIVAUDAN ROURE (INTERNATIONAL) SA (CH) 2001-04-24 US disclosed
EP-1090624-A2 Beta ketoester Givaudan SA (CH) 2001-04-11 EP disclosed
EP-0983990-A2 Ketones useful as precursors for organoleptic compounds Givaudan Roure (International) S.A. (CH) 2000-03-08 EP disclosed
EP-0952142-A1 Compounds with protected hydroxy groups Givaudan Roure (International) S.A. (CH) 1999-10-27 EP disclosed
EP-0911315-A1 Beta-ketoester Givaudan Roure (International) S.A. (CH) 1999-04-28 EP disclosed
US-4018718-A 2-Ethyl-3,6,6-trimethyl-1-crotonyl-2-cyclohexene-type compounds and perfume compositions GIVAUDAN CORPORATION (US) 1977-04-19 US disclosed
US-4006108-A ODORANTS GIVAUDAN CORPORATION (US) 1977-02-01 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-10941156-B2 Cyclic ketals as fragrance precursor compounds KCNK5, KLK5, KCNA1 ALDH1A1 1723/4885CYP3A4 2755/4885ALOX15 2698/4885
US-20190276469-A1 Cyclic Ketals As Fragrance Precursor Compounds KCNK5, KLK5, KCNA1 ALDH1A1 1723/4885CYP3A4 2755/4885ALOX15 2698/4885
US-20170349858-A1 PHOTOLABILE FRAGRANCE PRECURSOR COMPOUND TRPA1, CYP1A1, TRPV1 ALDH1A1 21/4885CYP3A4 71/4885ALOX15 417/4885

“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.