SCHEMBL1243737

SCHEMBL1243737

CC1=C(CCC(C)O)C(C)(C)CC=C1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.33
MAOB P27338 1/20 0.33
TYR P14679 2/20 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
SCHEMBL12309700 0.74 MAOA (0.37) MAOAMAOB
SCHEMBL5435984 0.72 MAOA (0.35) MAOAMAOB
SCHEMBL1404286 0.67
SCHEMBL6688550 0.67 MAOA (0.35) MAOAMAOB
SCHEMBL3986394 0.67 MAOA (0.33) MAOAMAOB
SCHEMBL11375248 0.66 TRPA1 (0.46)
SCHEMBL5666337 0.66 MAOA (0.37) MAOAMAOB
SCHEMBL891527 0.64 ALDH1A1 (0.45)
SCHEMBL11654626 0.64 MAOA (0.33) MAOAMAOB
SCHEMBL7111153 0.64 MAOA (0.40) MAOAMAOB

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2775839-B1 METHODS FOR ASSESSING REPELLANT QUALITY OF ORGANIC MATERIALS AND METHODS AND COMPOSITIONS FOR REPELLING ARTHROPODS UNIV CALIFORNIA (US) 2023-12-06 EP disclosed
CN-110891615-B System and method for selecting and releasing fragrance 阿甘香气及精细化学有限公司 2022-08-05 CN disclosed
EP-2292224-B1 Derivatives of lactiosole for preventing or treating diabetes SYMRISE AG (DE) 2018-03-07 EP disclosed
CN-106999972-A System and method for discharging fragrance 阿甘芳香和精细化工有限公司 2017-08-01 CN disclosed
CN-106999973-A System and method for discharging edible material 阿甘芳香和精细化工有限公司 2017-08-01 CN disclosed
EP-2861208-A1 PREVENTION OF FIBROBLAST COLLAPSE Biocogent, LLC (US) 2015-04-22 EP disclosed
US-20150104399-A1 PREVENTION OF FIBROBLAST COLLAPSE BIOCOGENT, LLC (US) 2015-04-16 US disclosed
US-8592621-B2 Precursor compounds of sweet taste receptor antagonists for the prevention or treatment of disease SYMRISE AG (DE) 2013-11-26 US disclosed
WO-2013173353-A1 PREVENTION OF FIBROBLAST COLLAPSE BIOCOGENT, LLC (US) 2013-11-21 WO disclosed
EP-2292224-A1 Precursor compounds of sweet receptor antagonists for preventing or treating diabetes Symrise AG (DE) 2011-03-09 EP disclosed
US-20110045069-A1 PRECURSOR COMPOUNDS OF SWEET TASTE RECEPTOR ANTAGONISTS FOR THE PREVENTION OR TREATMENT OF DISEASE SYMRISE GMBH CO. KG (DE) 2011-02-24 US disclosed
US-3996296-A FLAVORS, AROMAS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-12-07 US disclosed
US-3996296-A FLAVORS, AROMAS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-12-07 US disclosed
US-3996296-A FLAVORS, AROMAS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-12-07 US disclosed
US-3928248-A Fragrance materials containing 4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-2-butanol and/or 4-(6,6-dimethyl-2-methylene-3-cyclo-hexen-1-yl)-2-butanol, and/or acetals thereof, and methods for producing same INT FLAVORS & FRAGRANCES INC 1975-12-23 US disclosed
US-3928248-A Fragrance materials containing 4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-2-butanol and/or 4-(6,6-dimethyl-2-methylene-3-cyclo-hexen-1-yl)-2-butanol, and/or acetals thereof, and methods for producing same INT FLAVORS & FRAGRANCES INC 1975-12-23 US disclosed
US-3899597-A Altering raspberry flavored foodstuffs with 4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-2-butanol and/or 4-(6,6-dimethyl-2-methylene-3-cyclohexen-1-yl)-2-butanol, and/or acetates thereof INT FLAVORS & FRAGRANCES INC 1975-08-12 US disclosed
US-3899597-A Altering raspberry flavored foodstuffs with 4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-2-butanol and/or 4-(6,6-dimethyl-2-methylene-3-cyclohexen-1-yl)-2-butanol, and/or acetates thereof INT FLAVORS & FRAGRANCES INC 1975-08-12 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-20110045069-A1 PRECURSOR COMPOUNDS OF SWEET TASTE RECEPTOR ANTAGONISTS FOR THE PREVENTION OR TREATMENT OF DISEASE TAS1R2, TAS2R5, TAS2R1 MAOA 2777/4885MAOB 2628/4885TYR 507/4885

“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.