SCHEMBL80008

SCHEMBL80008

COCC(=O)OC1(C(C)C)CCCC(C)C1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL26620596 1.00 CYP1A2 (0.39) CYP1A2ALDH1A1KDM4ETDP1NPSR1
SCHEMBL27983235 0.88 CYP1A2 (0.35) CYP1A2
SCHEMBL28851752 0.87 CYP1A2 (0.34) CYP1A2
SCHEMBL27814124 0.80 CYP1A2 (0.40) CYP1A2
SCHEMBL28005450 0.78 CYP1A2 (0.38) CYP1A2ALDH1A1KDM4ETDP1
SCHEMBL3804865 0.78 CYP1A2 (0.38) CYP1A2ALDH1A1KDM4ETDP1
SCHEMBL3722471 0.77 CYP1A2 (0.47) CYP1A2ALDH1A1KDM4ETDP1
SCHEMBL7964537 0.75 CYP1A2 (0.36) CYP1A2
SCHEMBL8966109 0.75 CYP1A2 (0.36) CYP1A2
SCHEMBL28462121 0.72 CYP1A2 (0.34) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4442241-A2 RETINOL REPLACEMENT IN SKIN TREATMENT Symrise AG (DE) 2024-10-09 EP claimed
EP-3773445-B1 RETINOL REPLACEMENT IN SKIN TREATMENT SYMRISE AG (DE) 2024-07-24 EP claimed
CN-107847772-B Pharmaceutical composition containing polyalkylene glycol derivative 西姆莱斯股份公司 2022-01-04 CN claimed
US-20210045983-A1 RETINOL REPLACEMENT IN SKIN TREATMENT SYMRISE AG (DE) 2021-02-18 US claimed
EP-3773445-A1 RETINOL REPLACEMENT IN SKIN TREATMENT Symrise AG (DE) 2021-02-17 EP claimed
WO-2019185923-A1 RETINOL REPLACEMENT IN SKIN TREATMENT SYMRISE AG (DE) 2019-10-03 WO claimed
US-20180185301-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING POLYALKYLENE GLYCOL DERIVATIVES SYMRISE AG (DE) 2018-07-05 US claimed
CN-107847772-A Pharmaceutical composition containing ployalkylene glycol derivative 西姆莱斯股份公司 2018-03-27 CN claimed
WO-2016207084-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING POLYALKYLENE GLYCOL DERIVATIVES SYMRISE AG (DE) 2016-12-29 WO claimed
EP-3108941-A1 COMPOSITIONS COMPRISING POLYALKYLENE GLYCOL DERIVATIVES Symrise AG (DE) 2016-12-28 EP claimed
EP-1959915-A1 MIXTURES COMPRISING ANTHRANILIC ACID AMIDES AND ANTIDANDRUFF AGENTS AS COSMETIC AND PHARMACEUTICAL COMPOSITIONS FOR ALLEVIATING ITCHING Symrise GmbH & Co. KG (DE) 2008-08-27 EP claimed
CN-100387699-C Flavoring agent component for cooling product FIRMENICH & CIE (CH) 2008-05-14 CN claimed
EP-1874132-A1 HOT FLAVOUR AND SKIN SENSATION COMPOSITION FIRMENICH SA (CH) 2008-01-09 EP claimed
US-20080000614-A1 HOT FLAVOR AND SKIN SENSATION COMPOSITION FIRMENICH SA (CH) 2008-01-03 US claimed
JP-2007516316-A 2007-06-21 JP claimed
WO-2007062957-A1 MIXTURES COMPRISING ANTHRANILIC ACID AMIDES AND ANTIDANDRUFF AGENTS AS COSMETIC AND PHARMACEUTICAL COMPOSITIONS FOR ALLEVIATING ITCHING SYMRISE GMBH & CO. KG (DE) 2007-06-07 WO claimed
CN-1875088-A Flavor ingredients for cooling preparations FIRMENICH & CIE (CH) 2006-12-06 CN claimed
WO-2006109241-A1 HOT FLAVOUR AND SKIN SENSATION COMPOSITION FIRMENICH SA (CH) 2006-10-19 WO claimed
EP-1682641-A1 FLAVOR INGREDIENTS FOR COOLING PREPARATIONS FIRMENICH SA (CH) 2006-07-26 EP claimed
WO-2005042680-A1 FLAVOR INGREDIENTS FOR COOLING PREPARATIONS FIRMENICH SA (CH) 2005-05-12 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20210045983-A1 RETINOL REPLACEMENT IN SKIN TREATMENT RBP1, RBP4, LRAT CYP1A2 700/4885ALDH1A1 23/4885KDM4E 3115/4885
US-20180185301-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING POLYALKYLENE GLYCOL DERIVATIVES PARG, PARN, TRPV1 CYP1A2 1066/4885ALDH1A1 3233/4885KDM4E 3650/4885

“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.