SCHEMBL114946

SCHEMBL114946

O=C1CCCCCCCCCCOCCCCO1

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.80
CA9 Q16790 1/20 0.80
ALDH1A1 P00352 3/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
TRIM24 O15164 2/20 0.35
TRIM33 Q9UPN9 2/20 0.35
FKBP4 Q02790 3/20 0.34
GLS O94925 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
SCHEMBL111476 1.00 CA1 (0.80) CA1CA9ALDH1A1LMNATP53
SCHEMBL273031 1.00 CA1 (0.80) CA1CA9ALDH1A1LMNATP53
Tetrahydrofuran SCHEMBL20339203 1.00 CA1 (0.80) CA1CA9ALDH1A1LMNATP53
SCHEMBL30489732 1.00 CA1 (0.80) CA1CA9ALDH1A1LMNATP53
SCHEMBL7857216 1.00 CA1 (0.80) CA1CA9ALDH1A1LMNATP53
SCHEMBL24983738 1.00 CA1 (0.80) CA1CA9ALDH1A1LMNATP53
Tetrahydrofuran SCHEMBL7762875 0.98 CA1 (0.76) CA1CA9ALDH1A1LMNATP53
SCHEMBL8651090 0.98 CA1 (0.76) CA1CA9ALDH1A1LMNATP53
Tetrahydrofuran SCHEMBL28748839 0.97 CA1 (0.84) CA1CA9ALDH1A1LMNATP53
SCHEMBL8467388 0.95 CA1 (0.71) CA1CA9ALDH1A1LMNATP53

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 1567 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12187978-B2 Use of (3-acetoxy-2,2-dimethyl-propyl) acetate in combination with (3-hydroxy-2,2-dimethyl-propyl) acetate as an aroma chemical BASF SE (DE) 2025-01-07 US claimed
EP-4438065-A2 A MIXTURE COMPRISING 1,2-ALKANEDIOLS Symrise AG (DE) 2024-10-02 EP claimed
EP-3884018-A1 JASMOL Symrise AG (DE) 2021-09-29 EP claimed
CN-113056547-A Jasmine alcohol 西姆莱斯有限公司 2021-06-29 CN claimed
EP-2844065-B1 LURE COMPOSITION ATTRATEC GMBH (DE) 2021-01-06 EP claimed
EP-3649183-A1 SILICONE COMPOUNDS The Procter and Gamble Company (US) 2020-05-13 EP claimed
EP-3649184-A1 SILICONE COMPOUNDS The Procter and Gamble Company (US) 2020-05-13 EP claimed
US-20190192408-A1 COMPOSITION FOR THE PERMANENT DEFORMATION OF HAIR HAVING REDUCED ODOUR WELLA OPERATIONS US, LLC 2019-06-27 US claimed
US-20190155975-A9 Antiperspirant and Deodorant Compositions Comprising Malodor Reduction Compositions THE PROCTER & GAMBLE COMPANY 2019-05-23 US claimed
US-10240108-B2 Particles for malodor reduction THE PROCTER & GAMBLE COMPANY (US) 2019-03-26 US claimed
EP-2723315-A2 USE OF SILICONE ELASTOMERS IN COSMETIC PREPARATIONS Beiersdorf AG (DE) 2014-04-30 EP claimed
EP-2640766-A1 PROCESS FOR PREPARING A POLYESTER Saudi Basic Industries Corporation (SA) 2013-09-25 EP claimed
WO-2013000742-A2 USE OF SILICONE ELASTOMERS IN COSMETIC PREPARATIONS BEIERSDORF AG (DE) 2013-01-03 WO claimed
US-20120136134-A1 PROCESS FOR PREPARING A POLYESTER SAUDI BASIC INDUSTRIES CORPORATION (SA) 2012-05-31 US claimed
WO-2012065711-A1 PROCESS FOR PREPARING A POLYESTER SAUDI BASIC INDUSTRIES CORPORATION (SA) 2012-05-24 WO claimed
WO-2012065745-A1 PROCESS FOR PREPARING COPOLYESTERS, COPOLYESTERS AND THEIR MEDICAL USES STICHTING DUTCH POLYMER INSTITUTE (NL) 2012-05-24 WO claimed
US-6639089-B2 Therapy, side effect reduction SODA AROMATIC CO., LTD. 2003-10-28 US claimed
US-20030055105-A1 Anticancer agents, perfumes or foods and drinks containing omega-hydroxyfatty acids SODA AROMATIC CO., LTD. A JAPANESE CORPORATION (JP) 2003-03-20 US claimed
EP-1249236-A1 ANTICANCER AGENTS, PERFUMES OR FOODS AND DRINKS CONTAINING $g(v)-HYDROXYFATTY ACIDS SODA AROMATIC COMPANY, LIMITED (JP) 2002-10-16 EP claimed
WO-1998056337-A1 MALODOR REDUCING COMPOSITION CONTAINING AMBER AND MUSK MATERIALS THE PROCTER & GAMBLE COMPANY (US) 1998-12-17 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-20030055105-A1 Anticancer agents, perfumes or foods and drinks containing omega-hydroxyfatty acids ALOX5, ELOVL5, ELOVL3 CA1 1636/4885CA9 1111/4885ALDH1A1 397/4885
US-20190192408-A1 COMPOSITION FOR THE PERMANENT DEFORMATION OF HAIR HAVING REDUCED ODOUR MAL2, MSH6, OR51E2 CA1 3296/4885CA9 2038/4885ALDH1A1 33/4885

“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.