SCHEMBL1608253

SCHEMBL1608253

C=CCCCCCCCCC=CC#N

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
TRPA1 O75762 3/20 0.39
ALDH1A1 P00352 6/20 0.39
MAPT P10636 2/20 0.37
ABCC4 O15439 1/20 0.37
LMNA P02545 2/20 0.33
USP2 O75604 1/20 0.33
CYP3A4 P08684 1/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LPAR3 Q9UBY5 2/20 0.32
LPAR2 Q9HBW0 1/20 0.32

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
SCHEMBL18941486 1.00 TSHR (0.42) TSHRTRPA1ALDH1A1MAPTABCC4
SCHEMBL18941546 1.00 TSHR (0.42) TSHRTRPA1ALDH1A1MAPTABCC4
SCHEMBL1608250 1.00 TSHR (0.42) TSHRTRPA1ALDH1A1MAPTABCC4
SCHEMBL15861771 1.00 TSHR (0.42) TSHRTRPA1ALDH1A1MAPTABCC4
SCHEMBL18941548 1.00 TSHR (0.42) TSHRTRPA1ALDH1A1MAPTABCC4
SCHEMBL18941618 1.00 TSHR (0.42) TSHRTRPA1ALDH1A1MAPTABCC4
SCHEMBL18941489 1.00 TSHR (0.42) TSHRTRPA1ALDH1A1MAPTABCC4
SCHEMBL18941566 1.00 TSHR (0.42) TSHRTRPA1ALDH1A1MAPTABCC4
SCHEMBL18941616 1.00 TSHR (0.42) TSHRTRPA1ALDH1A1MAPTABCC4
SCHEMBL18941563 1.00 TSHR (0.42) TSHRTRPA1ALDH1A1MAPTABCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3386319-A1 FRAGRANCE AND FLAVOR COMPOSITIONS CONTAINING ISOMERIC ALKADIENALS OR ISOMERIC ALKADIENENITRILES Bedoukian Research, Inc. (US) 2018-10-17 EP claimed
US-10035972-B2 Fragrance and flavor compositions containing isomeric alkadienals or isomeric alkadienenitriles BEDOUKIAN RESEARCH, INC. (US) 2018-07-31 US claimed
WO-2017100426-A1 FRAGRANCE AND FLAVOR COMPOSITIONS CONTAINING ISOMERIC ALKADIENALS OR ISOMERIC ALKADIENENITRILES BEDOUKIAN RESEARCH, INC. (US) 2017-06-15 WO claimed
US-20170166836-A1 FRAGRANCE AND FLAVOR COMPOSITIONS CONTAINING ISOMERIC ALKADIENALS OR ISOMERIC ALKADIENENITRILES BEDOUKIAN RESEARCH, INC. (US) 2017-06-15 US claimed
WO-2011147455-A1 FLAVORING SUBSTANCE-INCLUDED COMPOUNDS SYMRISE AG (DE) 2011-12-01 WO claimed
US-12023640-B2 Aqueous dispersion of microcapsules, and uses thereof TAKASAGO INTERNATIONAL CORPORATION (JP) 2024-07-02 US disclosed
US-12023396-B2 Flavour and fragrance compositions comprising acetophenone derivatives SYMRISE AG (DE) 2024-07-02 US disclosed
US-12018227-B2 Encapsulated fragrance composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2024-06-25 US disclosed
EP-3585185-B1 METHOD FOR PRODUCING ROTUNDONE-CONTAINING MIXTURES SYMRISE AG (DE) 2024-04-10 EP disclosed
US-11851631-B2 Household product delivering cooling sensations TAKASAGO INTERNATIONAL CORPORATION (JP) 2023-12-26 US disclosed
CN-116568786-A Synergistic perfuming composition 弗门尼舍有限公司 2023-08-08 CN disclosed
EP-3388508-B1 LAUNDRY PRODUCT TAKASAGO PERFUMERY CO LTD (JP) 2023-08-02 EP disclosed
US-6566562-B2 Making 2,2,7,7-tetramethyltricyclo(6.2.1.01,6)undecan-6-ol (isolongifolanol) and isolongifolenol (2,2,7,7-tetramethyltricyclo(6.2.1.01,6)undec-4-en-6-ol); use as fragrance HAARMANN & REIMER GMBH (DE) 2003-05-20 US disclosed
US-20030008788-A1 Selection method for odorants SYMRISE AG (DE) 2003-01-09 US disclosed
WO-2002076605-A1 METHOD FOR PRODUCING ENCAPSULATIONS SYMRISE GMBH & CO. KG (DE) 2002-10-03 WO disclosed
US-20020111519-A1 Process for the preparation of isolongifolanol SYMRISE GMBH & CO. KG (DE) 2002-08-15 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20010005711-A1 Perfume compositions comprising 4,8-dimethyl-3,7-nonadien-2-one DEK, DPM1, DEGS1 TSHR 4800/4885TRPA1 560/4885ALDH1A1 1546/4885
US-12023396-B2 Flavour and fragrance compositions comprising acetophenone derivatives FAAH2, ADH5, NISCH TSHR 4797/4885TRPA1 9/4885ALDH1A1 54/4885
US-20170166836-A1 FRAGRANCE AND FLAVOR COMPOSITIONS CONTAINING ISOMERIC ALKADIENALS OR ISOMERIC ALKADIENENITRILES ALDH3A1, OR51E2, DHCR24 TSHR 3880/4885TRPA1 23/4885ALDH1A1 5/4885
US-20020055453-A1 Novel macrocyclic ketones FASN, KCNK5, NOTUM TSHR 4568/4885TRPA1 20/4885ALDH1A1 762/4885
US-10035972-B2 Fragrance and flavor compositions containing isomeric alkadienals or isomeric alkadienenitriles ALDH3A1, OR51E2, DHCR24 TSHR 3880/4885TRPA1 23/4885ALDH1A1 5/4885
US-20020111519-A1 Process for the preparation of isolongifolanol UGT1A6, UMPS, UGT1A7 TSHR 4275/4885TRPA1 236/4885ALDH1A1 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.