SCHEMBL1439129

SCHEMBL1439129

CCOC(=O)CC1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 5/20 0.46
ALDH1A1 P00352 5/20 0.46
GAA P10253 2/20 0.46
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.43
TRPA1 O75762 1/20 0.43
CYP2D6 P10635 1/20 0.41

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
SCHEMBL9131994 0.98 TDP1 (0.50) TDP1L3MBTL1ALDH1A1GAAMGAM
SCHEMBL18797 0.98 TDP1 (0.50) TDP1L3MBTL1ALDH1A1GAAMGAM
Cyclohexane SCHEMBL28249403 0.98 TDP1 (0.50) TDP1L3MBTL1ALDH1A1GAAMGAM
SCHEMBL2779505 0.98 TDP1 (0.50) TDP1L3MBTL1ALDH1A1GAAMGAM
SCHEMBL26914635 0.98 TDP1 (0.50) TDP1L3MBTL1ALDH1A1GAAMGAM
SCHEMBL25311355 0.98 TDP1 (0.50) TDP1L3MBTL1ALDH1A1GAAMGAM
SCHEMBL9134377 0.98 TDP1 (0.50) TDP1L3MBTL1ALDH1A1GAAMGAM
SCHEMBL29071102 0.96 TDP1 (0.49) TDP1L3MBTL1ALDH1A1GAAMGAM
SCHEMBL1881523 0.96 ALDH1A1 (0.46) TDP1L3MBTL1ALDH1A1GAAMGAM
Acetic Acid SCHEMBL17748838 0.92 TDP1 (0.47) TDP1L3MBTL1ALDH1A1GAAMGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117203313-A 2, 4-dimethyloctan-2, 7-dien-4-ol as perfume 西姆莱斯股份公司 2023-12-08 CN claimed
CN-116964182-A 2, 6-trimethyl-pinan-2-ol as fragrance 西姆莱斯股份公司 2023-10-27 CN claimed
EP-3416612-B1 FRAGRANT MIXTURES CONTAINING ESTERS AND KETONES SYMRISE AG (DE) 2022-12-28 EP claimed
CN-109069378-B Perfume mixture containing ester and ketone 西姆莱斯股份公司 2022-10-11 CN claimed
US-20190136148-A1 FRAGRANT MIXTURES CONTAINING ESTERS AND KETONES SYMRISE AG (DE) 2019-05-09 US claimed
EP-3416612-A1 FRAGRANT MIXTURES CONTAINING ESTERS AND KETONES Symrise AG (DE) 2018-12-26 EP claimed
CN-109069378-A spice mixture containing ester and ketone 西姆莱斯股份公司 2018-12-21 CN claimed
WO-2017140336-A1 FRAGRANT MIXTURES CONTAINING ESTERS AND KETONES SYMRISE AG (DE) 2017-08-24 WO claimed
US-5491167-A INHIBITORS OF CHOLESTEROL BIOSYNTHESIS SANKYO COMPANY, LIMITED (JP) 1996-02-13 US claimed
CN-114555585-B HPK1 inhibitors and uses thereof 锐格药业公司 2025-02-11 CN disclosed
CN-117203313-A 2, 4-dimethyloctan-2, 7-dien-4-ol as perfume 西姆莱斯股份公司 2023-12-08 CN disclosed
CN-116964182-A 2, 6-trimethyl-pinan-2-ol as fragrance 西姆莱斯股份公司 2023-10-27 CN disclosed
EP-3416612-B1 FRAGRANT MIXTURES CONTAINING ESTERS AND KETONES SYMRISE AG (DE) 2022-12-28 EP disclosed
EP-3416612-B1 FRAGRANT MIXTURES CONTAINING ESTERS AND KETONES SYMRISE AG (DE) 2022-12-28 EP disclosed
US-4277498-A Amides BURROUGHS WELLCOME CO. (US) 1981-07-07 US disclosed
US-4243672-A CARDIOVASCULAR DISORDERS; CARDIOTONIC AGENTS PFIZER INC. (US) 1981-01-06 US disclosed
EP-0009326-A2 Pyrrolyl keto and amino acids and derivatives thereof, processes for their preparation and pharmaceutical compositions containing them Pfizer Limited (GB) 1980-04-02 EP disclosed
US-4167581-A 1-ARYLOXY-3-(ACYLAMINO)ALKYLAMINO-2-PROPANOL ADRENERGIC BLOCKING, AGENTS AND CARDIAC STIMULANTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-09-11 US disclosed
US-4131685-A ADRENERGIC BLOCKING AGENT, CARDIAC STIMULANT IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-12-26 US disclosed
US-4117014-A PROSTAGLANDIN DERIVATIVES ABBOTT LABORATORIES (US) 1978-09-26 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 (1 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-20190136148-A1 FRAGRANT MIXTURES CONTAINING ESTERS AND KETONES FASN, CETP, FAM120A TDP1 4734/4885L3MBTL1 3105/4885ALDH1A1 651/4885

“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.