SCHEMBL272972

SCHEMBL272972

C=C/C(C)=C/C/C=C(\C)CO

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.35
BTN3A1 O00481 3/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL272973 1.00 TRPA1 (0.35) TRPA1BTN3A1ALDH1A1
Formic Acid SCHEMBL29017531 0.92 BTN3A1 (0.34) TRPA1BTN3A1ALDH1A1
SCHEMBL26132224 0.81 ALDH1A1 (0.33) ALDH1A1
SCHEMBL21834469 0.78
SCHEMBL21796222 0.78
SCHEMBL18665432 0.77 TRPA1 (0.33) TRPA1BTN3A1ALDH1A1
Ocimene SCHEMBL157852 0.77 TSHR (0.41) ALDH1A1
Ocimene SCHEMBL83330 0.77 TSHR (0.41) ALDH1A1
Ocimene SCHEMBL23589 0.77 TSHR (0.41) ALDH1A1
Ocimene SCHEMBL15011309 0.77 TSHR (0.41) ALDH1A1

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 673 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
CN-113056547-A Jasmine alcohol 西姆莱斯有限公司 2021-06-29 CN claimed
WO-2011147455-A1 FLAVORING SUBSTANCE-INCLUDED COMPOUNDS SYMRISE AG (DE) 2011-12-01 WO claimed
US-12630783-B2 Muguet type fragrance compounds SYMRISE AG (DE) 2026-05-19 US disclosed
US-12630781-B2 Fragrance or flavour mixture SYMRISE AG (DE) 2026-05-19 US disclosed
US-12625123-B2 Device and method for the analytical and sensory determination of the release of an active substance from a release system SYMRISE AG (DE) 2026-05-12 US disclosed
EP-4077299-B1 SUBSTITUTED 4-METHYLENE-TETRAHYDROPYRANS, 4-METHYL-DIHYDROPYRANS AND 4-METHYL-TETRAHYDROPYRANS AND USE THEREOF AS AROMA CHEMICALS BASF SE (DE) 2026-04-01 EP disclosed
US-12583833-B2 Enrichment of a diastereomer in Magnolan SYMRISE AG (DE) 2026-03-24 US disclosed
US-12577495-B2 Fragrance mixtures containing 1-(4,4-dimethylcyclohexen-1-yl) ethanon SYMRISE AG (DE) 2026-03-17 US disclosed
EP-3826986-B1 NOVEL ODORANTS HAVING ROSE ODOUR SYMRISE AG (DE) 2026-03-04 EP disclosed
US-12552732-B2 Cyclopropanated sandalwood type compounds SYMRISE AG (DE) 2026-02-17 US disclosed
US-20020111280-A1 Care agents SYMRISE AG (DE) 2002-08-15 US disclosed
US-20020111519-A1 Process for the preparation of isolongifolanol SYMRISE GMBH & CO. KG (DE) 2002-08-15 US disclosed
US-6420334-B1 2-ALKOXYDECAHYDRO-2,3A,4,4,7-PENTAMETHYL-3,7A-METHANO-7AH-INDENO(5,6-B)FURANS; ETHERIFICATION AND CYCLIZATION OF HYDROXY KETONE OR ENOL ETHER WITH AN ALCOHOL; FRAGRANCES; PERFUMES; STABILE; EFFECTIVE; LONG-LASTING HAARMANN & REIMER GMBH (DE) 2002-07-16 US disclosed
US-20020077258-A1 Multiphase soaps HAARMANN & REIMER GMBH (DE) 2002-06-20 US disclosed
EP-1215189-A1 Process for the preparation of isolongifolanol HAARMANN & REIMER GMBH (DE) 2002-06-19 EP disclosed
US-20020055453-A1 Novel macrocyclic ketones SYMRISE GMBH & CO. KG (DE) 2002-05-09 US disclosed
US-20010005711-A1 Perfume compositions comprising 4,8-dimethyl-3,7-nonadien-2-one SYMRISE GMBH & CO. KG (DE) 2001-06-28 US disclosed
EP-1111029-A2 Perfume compositions containing 4,8-dimethyl-3,7-nonadien-2-one HAARMANN & REIMER GMBH (DE) 2001-06-27 EP disclosed
EP-1067126-A2 Tetracyclic acetals HAARMANN & REIMER GMBH (DE) 2001-01-10 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 (9 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-12583833-B2 Enrichment of a diastereomer in Magnolan TRPA1, ENO1, ADH1A TRPA1 1/4885BTN3A1 1402/4885ALDH1A1 4/4885
US-20010005711-A1 Perfume compositions comprising 4,8-dimethyl-3,7-nonadien-2-one DEK, DPM1, DEGS1 TRPA1 560/4885BTN3A1 2847/4885ALDH1A1 1546/4885
US-12577495-B2 Fragrance mixtures containing 1-(4,4-dimethylcyclohexen-1-yl) ethanon ALG3, FAAH, FAAH2 TRPA1 5/4885BTN3A1 1826/4885ALDH1A1 53/4885
US-12630783-B2 Muguet type fragrance compounds MGAT1, RFT1, CPT1A TRPA1 36/4885BTN3A1 1653/4885ALDH1A1 132/4885
US-12625123-B2 Device and method for the analytical and sensory determination of the release of an active substance from a release system TAS2R7, TAS2R42, TAS2R39 TRPA1 5/4885BTN3A1 1868/4885ALDH1A1 696/4885
US-12552732-B2 Cyclopropanated sandalwood type compounds FAAH2, ADCY10, OR10J3 TRPA1 6/4885BTN3A1 1726/4885ALDH1A1 8/4885
US-12630781-B2 Fragrance or flavour mixture NOTUM, FFAR2, FFAR1 TRPA1 27/4885BTN3A1 1320/4885ALDH1A1 79/4885
US-20020055453-A1 Novel macrocyclic ketones FASN, KCNK5, NOTUM TRPA1 20/4885BTN3A1 2875/4885ALDH1A1 762/4885
US-20020111519-A1 Process for the preparation of isolongifolanol UGT1A6, UMPS, UGT1A7 TRPA1 236/4885BTN3A1 3553/4885ALDH1A1 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.