SCHEMBL440861

SCHEMBL440861

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
PKM P14618 1/20 0.38
CDC25A P30304 1/20 0.38
CDC25B P30305 1/20 0.38
RPS6KA3 P51812 1/20 0.38
GLO1 Q04760 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GPR35 Q9HC97 1/20 0.38
MAOB P27338 3/20 0.36
IMPDH2 P12268 1/20 0.33
APAF1 O14727 1/20 0.33
TDP2 O95551 1/20 0.33
NSD2 O96028 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
SCHEMBL13886351 0.79 ALDH1A1 (0.30) ALDH1A1
SCHEMBL11127509 0.76 DHODH (0.31) DHODHMAPTKDM4EMEN1KMT2A
SCHEMBL4396504 0.75 NPSR1 (0.30)
SCHEMBL3110758 0.73
SCHEMBL20384 0.73
SCHEMBL11804819 0.73
Cis-Jasmone SCHEMBL8675317 0.73 AKR1C4 (0.34) MAPTALDH1A1
SCHEMBL11125815 0.72 ALDH1A1 (0.33) ALDH1A1
Cis-Jasmone SCHEMBL17629672 0.72 TRPA1 (0.30)
SCHEMBL3951114 0.72 MEN1 (0.34) DHODHMAPTKDM4EMEN1KMT2A

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 49 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
US-7141699-B1 Substituted cyclopentenone derivatives and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2006-11-28 US claimed
EP-0953562-A1 Beta, gamma-unsaturated delta-keto esters Givaudan Roure (International) S.A. (CH) 1999-11-03 EP 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
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-0953562-A1 Beta, gamma-unsaturated delta-keto esters Givaudan Roure (International) S.A. (CH) 1999-11-03 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
EP-0018893-B1 ALLETHROLONE DERIVATIVES AND PROCESS FOR THEIR PREPARATION ROUSSEL-UCLAF (FR) 1983-01-26 EP disclosed
EP-0018893-A1 Allethrolone derivatives and process for their preparation ROUSSEL-UCLAF (FR) 1980-11-12 EP disclosed
EP-0018894-A1 Esters of allethrolone derivatives and carboxylic acids, process for their preparation and the compositions containing them ROUSSEL-UCLAF (FR) 1980-11-12 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-10941156-B2 Cyclic ketals as fragrance precursor compounds KCNK5, KLK5, KCNA1 DHODH 1466/4885MAPT 4212/4885KDM4E 164/4885
US-20190276469-A1 Cyclic Ketals As Fragrance Precursor Compounds KCNK5, KLK5, KCNA1 DHODH 1466/4885MAPT 4212/4885KDM4E 164/4885
US-20170349858-A1 PHOTOLABILE FRAGRANCE PRECURSOR COMPOUND TRPA1, CYP1A1, TRPV1 DHODH 322/4885MAPT 1653/4885KDM4E 388/4885

“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.