SCHEMBL3210024

SCHEMBL3210024

CC(=O)c1cc(C(C)C)ccc1C

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.53
PTGS1 P23219 1/20 0.53
CACNA1C Q13936 1/20 0.53
LMNA P02545 2/20 0.50
BCHE P06276 4/20 0.44
ACHE P22303 4/20 0.44
HSP90AA1 P07900 2/20 0.44
HSP90AB1 P08238 2/20 0.44
TSHR P16473 1/20 0.42
RNASEH1 O60930 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL30619865 0.86 TRPA1 (0.55) TRPA1PTGS1CACNA1CLMNABCHE
SCHEMBL2354241 0.84 HSP90AA1 (0.60) TRPA1PTGS1CACNA1CLMNAHSP90AA1
SCHEMBL29495445 0.84 HSP90AA1 (0.60) TRPA1PTGS1CACNA1CLMNAHSP90AA1
SCHEMBL12270315 0.84 TRPA1 (0.48) TRPA1PTGS1CACNA1CLMNABCHE
SCHEMBL14132618 0.84 TRPA1 (0.53) TRPA1PTGS1CACNA1CLMNABCHE
SCHEMBL1002950 0.82 TRPA1 (0.52) TRPA1PTGS1CACNA1CLMNABCHE
SCHEMBL13819748 0.82 TRPA1 (0.47) TRPA1PTGS1CACNA1CLMNABCHE
SCHEMBL28407092 0.81 TRPA1 (0.50) TRPA1PTGS1CACNA1CLMNABCHE
SCHEMBL17229430 0.80 LMNA (0.47) TRPA1PTGS1CACNA1CLMNABCHE
SCHEMBL18944080 0.80 PTGS1 (0.53) TRPA1PTGS1CACNA1CLMNABCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190010427-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY 2019-01-10 US claimed
JP-2131563-A None JP disclosed
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF THE BROAD INSTITUTE, INC. 2023-06-22 US disclosed
CN-109641814-B Non-corrosive nitration inhibitor polar solvent preparation 美国陶氏益农公司 2021-12-31 CN disclosed
US-20190010427-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY 2019-01-10 US disclosed
EP-0941671-B1 Taste agent from Saccharum Officinarum, process for preparing it, products containing it INT FLAVORS & FRAGRANCES INC (US) 2015-09-09 EP disclosed
US-7678752-B2 Fabric care composition comprising organosilicone microemulsion and anionic/nitrogen-containing surfactant system THE PROCTER & GAMBLE COMPANY (US) 2010-03-16 US disclosed
EP-1313828-B2 FABRIC CARE COMPOSITIONS COMPRISING CATIONIC SILICONES AND METHODS EMPLOYING SAME PROCTER & GAMBLE (US) 2009-10-14 EP disclosed
US-7384903-B2 Fabric care and perfume compositions and systems comprising cationic silicones and methods employing same THE PROCTER & GAMBLE COMPANY (US) 2008-06-10 US disclosed
US-20070225198-A1 Fabric care compositions and systems comprising organosilicone microemulsions and methods employing same PROCTER & GAMBLE COMPANY, THE 2007-09-27 US disclosed
US-4126569-A Process of enhancing the aroma of a soap with liquid detergent norbornane derivatives INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-11-21 US disclosed
US-4126641-A KETAL, HYDROLYSIS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-11-21 US disclosed
US-4126570-A Process of enhancing the aroma of a detergent with norbornane derivatives INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-11-21 US disclosed
US-4126571-A Process of enhancing the aroma of a soap with norbornane derivatives INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-11-21 US disclosed
US-4123393-A Substituted-norbornane perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-10-31 US disclosed
US-4120308-A Substituted norbornane derivatives used in the process of flavoring tobacco and the product thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-10-17 US disclosed
US-4119577-A Substituted-norbornane perfumes compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-10-10 US disclosed
US-4076853-A Flavoring with substituted norbornane derivatives INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-02-28 US disclosed
US-4076854-A ADJUVANTS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-02-28 US disclosed
US-3936498-A ALKANOYL ALKANOIC ACID OR SALT OLIN CORPORATION (US) 1976-02-03 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-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF ERBB2, ACP1, TK1 TRPA1 4664/4885PTGS1 3935/4885CACNA1C 4854/4885

“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.