SCHEMBL1614306

SCHEMBL1614306

CC(=O)OCCC(C)CC=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.58
ALDH1A1 P00352 3/20 0.39
CHRNB2 P17787 4/20 0.38
CHRNA4 P43681 4/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
PGR P06401 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
HTR1A P08908 1/20 0.38
TBXA2R P21731 1/20 0.38
CHRNA7 P36544 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CHRNA10 Q9GZZ6 1/20 0.38
CHRNA9 Q9UGM1 1/20 0.38
TSHR P16473 1/20 0.38
GALR3 O60755 2/20 0.36

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
SCHEMBL9792336 0.89 ALOX15 (0.46) ALOX15ALDH1A1CHRNB2CHRNA4CHRM5
SCHEMBL7552905 0.83 ALOX15 (0.70) ALOX15ALDH1A1CHRNB2CHRNA4CHRM5
SCHEMBL25557425 0.82 ALOX15 (0.71) ALOX15ALDH1A1CHRNB2CHRNA4CHRM5
SCHEMBL17079529 0.82 ALOX15 (0.56) ALOX15ALDH1A1CHRNB2CHRNA4CHRM5
SCHEMBL8007782 0.82 ALOX15 (0.71) ALOX15ALDH1A1CHRNB2CHRNA4CHRM5
SCHEMBL5981421 0.81 ALOX15 (0.46) ALOX15ALDH1A1CHRNB2CHRNA4CHRM5
SCHEMBL9893304 0.81 NAAA (0.41) ALOX15ALDH1A1CHRNB2CHRNA4CHRNB4
SCHEMBL31538353 0.79 ALOX15 (0.53) ALOX15ALDH1A1CHRNB2CHRNA4CHRM5
SCHEMBL5080054 0.79 TDP1 (0.39) ALOX15ALDH1A1CHRNB2CHRNA4CHRM5
SCHEMBL15722853 0.79 TDP1 (0.39) ALOX15ALDH1A1CHRNB2CHRNA4CHRM5

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
EP-3784762-B1 ESTERS AND ETHERS OF 3-METHYL-PENTANE-DIOL AND UNSATURATED DERIVATIVES THEREOF AND THEIR USE AS AROMA CHEMICAL BASF SE (DE) 2025-09-03 EP disclosed
US-20210228459-A1 ESTERS AND ETHERS OF 3-METHYL-PENTANE-DIOL AND UNSATURATED DERIVATIVES THEREOF AND THEIR USE AS AROMA CHEMICAL BASF SE (DE) 2021-07-29 US disclosed
EP-3784762-A1 ESTERS AND ETHERS OF 3-METHYL-PENTANE-DIOL AND UNSATURATED DERIVATIVES THEREOF AND THEIR USE AS AROMA CHEMICAL BASF SE (DE) 2021-03-03 EP disclosed
CN-112020549-A Esters and ethers of 3-methylpentanediol and unsaturated derivatives thereof and use thereof as aromachemicals 巴斯夫欧洲公司 2020-12-01 CN disclosed
EP-3561029-A1 ESTERS AND ETHERS OF 3-METHYL-PENTAN-DIOL AND UNSATURATED DERIVATES THEREOF AND THEIR USE AS AROMA CHEMICAL BASF SE (DE) 2019-10-30 EP disclosed
US-9074020-B2 Cellulose derivative, resin composition, molded body, method for preparation thereof, and case for electric and electronic device FUJIFILM CORPORATION (JP) 2015-07-07 US disclosed
EP-2465874-B1 CELLULOSE DERIVATIVE, RESIN COMPOSITION, MOLDED ARTICLE AND PROCESS FOR PRODUCTION THEREOF, AND HOUSING FOR ELECTRIC AND ELECTRONIC DEVICE FUJIFILM CORP (JP) 2015-02-25 EP disclosed
CN-101679907-B Perfume system PROCTER & GAMBLE 2013-06-12 CN disclosed
US-8344023-B2 2,5-di- and 2,2,5-trisubstituted di- and tetrahydrofuran derivatives and their use for the production of perfumes GIVAUDAN SA (CH) 2013-01-01 US disclosed
EP-2155844-B1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2012-11-21 EP disclosed
EP-2152682-A1 2,5-DI- AND 2,2,5-TRISUBSTITUTED DI- AND TETRAHYDROFURAN DERIVATIVES AND THEIR USE FOR THE PRODUCTION OF PERFUMES Givaudan SA (CH) 2010-02-17 EP disclosed
US-20080305977-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2008-12-11 US disclosed
WO-2008151273-A2 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2008-12-11 WO disclosed
WO-2008148236-A1 2,5-DI- AND 2,2,5-TRISUBSTITUTED DI- AND TETRAHYDROFURAN DERIVATIVES AND THEIR USE FOR THE PRODUCTION OF PERFUMES GIVAUDAN SA (CH) 2008-12-11 WO disclosed
EP-0908455-B1 Macrocycles GIVAUDAN SA (CH) 2002-07-10 EP disclosed
US-6255276-B1 MUSK MACROMOLECULE GIVAUDEN ROURE (INTERNATIONAL) S.A. (CH) 2001-07-03 US disclosed
EP-0908455-A1 Macrocycles GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1999-04-14 EP disclosed
US-4861922-A Hydroformylation of 3-methyl-3-buten-1-ol and analogs thereof and use of such hydroformylation products KURARAY COMPANY, LTD. (JP) 1989-08-29 US disclosed
US-4663468-A RHODIUM CATALYST, COPPER AND ZINC OR CHROMIUM OXIDES CATALYST KURARAY COMPANY, LTD. (JP) 1987-05-05 US disclosed
EP-0155002-A2 Hydroformylation of 3-methyl-3-buten-1-ol and use of such hydroformylation products KURARAY CO., LTD. (JP) 1985-09-18 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 (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-20210228459-A1 ESTERS AND ETHERS OF 3-METHYL-PENTANE-DIOL AND UNSATURATED DERIVATIVES THEREOF AND THEIR USE AS AROMA CHEMICAL FFAR3, ELOVL3, ACMSD ALOX15 74/4885ALDH1A1 146/4885CHRNB2 1049/4885
US-20080305977-A1 PERFUME SYSTEMS PAOX, PLIN5, PFKFB2 ALOX15 525/4885ALDH1A1 2656/4885CHRNB2 1016/4885

“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.