SCHEMBL113797

SCHEMBL113797

O=C(O)CCCCCCCCCCC1(C(=O)O)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.52
LMNA P02545 3/20 0.52
NFKB1 P19838 1/20 0.52
PMP22 Q01453 1/20 0.52
GPR84 Q9NQS5 8/20 0.50
FFAR1 O14842 2/20 0.50
FFAR4 Q5NUL3 2/20 0.50
PPARG P37231 7/20 0.43
PPARD Q03181 7/20 0.43
PPARA Q07869 7/20 0.43
HDAC11 Q96DB2 5/20 0.43
ALDH1A1 P00352 3/20 0.43
PTPN1 P18031 3/20 0.43
TLR2 O60603 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 2/20 0.43
FABP4 P15090 2/20 0.43
ALOX15 P16050 2/20 0.43
KMT2A Q03164 2/20 0.43
SLC22A6 Q4U2R8 1/20 0.43

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
SCHEMBL10646768 1.00 TSHR (0.52) TSHRLMNANFKB1PMP22GPR84
SCHEMBL273244 1.00 TSHR (0.52) TSHRLMNANFKB1PMP22GPR84
SCHEMBL7088727 1.00 TSHR (0.52) TSHRLMNANFKB1PMP22GPR84
SCHEMBL7069470 1.00 TSHR (0.52) TSHRLMNANFKB1PMP22GPR84
SCHEMBL18263255 1.00 TSHR (0.52) TSHRLMNANFKB1PMP22GPR84
SCHEMBL18263264 1.00 TSHR (0.52) TSHRLMNANFKB1PMP22GPR84
SCHEMBL250989 1.00 TSHR (0.52) TSHRLMNANFKB1PMP22GPR84
SCHEMBL250466 1.00 TSHR (0.52) TSHRLMNANFKB1PMP22GPR84
SCHEMBL251112 0.98 LMNA (0.50) TSHRLMNANFKB1PMP22GPR84
Ethylene Glycol SCHEMBL10818946 0.94 GPR84 (0.56) TSHRLMNANFKB1PMP22GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3621577-B1 NOVEL FRAGRANCE COMPOSITIONS AND PRODUCTS WITH MOOD ENHANCING EFFECTS SYMRISE AG (DE) 2021-06-30 EP claimed
WO-2020015880-A1 BI-PHASE DEODORIZING COSMETIC COMPOSITION BEIERSDORF AG (DE) 2020-01-23 WO claimed
US-20090162308-A1 USE OF 2,4'-DIMETHYLPROPIOPHENONE AS A FRAGRANCE SUBSTANCE SYMRISE GMBH & CO. KG (DE) 2009-06-25 US claimed
EP-1290132-B1 FABRIC CARE COMPOSITIONS AND SYSTEMS FOR DELIVERING CLEAN, FRESH SCENT IN A LIPOPHILIC FLUID TREATMENT PROCESS PROCTER & GAMBLE (US) 2008-04-30 EP claimed
US-6590048-B1 Catalysts comprising group VIII compounds used for cyclization of crown ethers, antibiotics, veterinary medicines or perfumes STUDIENGESELLSCHAFT KOHLE MBH (DE) 2003-07-08 US claimed
EP-1037897-B1 HIGHLY ACTIVE CATIONIC RUTHENIUM AND OSMIUM COMPLEXES FOR OLEFIN METATHESIS REACTIONS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2002-06-12 EP claimed
EP-1037897-A1 HIGHLY ACTIVE CATIONIC RUTHENIUM AND OSMIUM COMPLEXES FOR OLEFIN METATHESIS REACTIONS Studiengesellschaft Kohle mbH (DE) 2000-09-27 EP claimed
WO-1999028330-A1 HIGHLY ACTIVE CATIONIC RUTHENIUM AND OSMIUM COMPLEXES FOR OLEFIN METATHESIS REACTIONS STUDIENGESELLSCHAFT KOHLE MBH (DE) 1999-06-10 WO claimed
EP-0921129-A1 Highly active cationic ruthenium and osmium complexes for olefin metathesis reactions Studiengesellschaft Kohle mbH (DE) 1999-06-09 EP claimed
EP-0596493-B1 Fragrant peracetic acid-containing oxidizing composition NIPPON PEROXIDE CO LTD (JP) 1999-02-03 EP claimed
EP-4214211-B1 SECO-AMBRAKETALS SYMRISE AG (DE) 2024-07-10 EP disclosed
US-12031106-B2 Use of 1-ethyl-4,4-dimethyl-cyclohexane derivatives as fragrances SYMRISE AG (DE) 2024-07-09 US disclosed
EP-4393581-A2 BIODEGRADABLE POLYUREA/POLYURETHANE MICROCAPSULES Symrise AG (DE) 2024-07-03 EP disclosed
US-20240209281-A1 2,4-DIMETHYLOCTA-2,7-DIEN-4-OL AS AN ODORIFEROUS SUBSTANCE SYMRISE AG (DE) 2024-06-27 US disclosed
EP-4376796-A1 TRANSPARENT AQUEOUS PERFUME COMPOSITION V. Mane Fils (FR) 2024-06-05 EP disclosed
EP-1037897-A1 HIGHLY ACTIVE CATIONIC RUTHENIUM AND OSMIUM COMPLEXES FOR OLEFIN METATHESIS REACTIONS Studiengesellschaft Kohle mbH (DE) 2000-09-27 EP disclosed
US-5936100-A METAL CARBENE COMPLEXES OF RUTHENIUM OR OSMIUM STUDIENGESELLSCHAFT KOHLE MBH (DE) 1999-08-10 US disclosed
WO-1999028330-A1 HIGHLY ACTIVE CATIONIC RUTHENIUM AND OSMIUM COMPLEXES FOR OLEFIN METATHESIS REACTIONS STUDIENGESELLSCHAFT KOHLE MBH (DE) 1999-06-10 WO disclosed
EP-0921129-A1 Highly active cationic ruthenium and osmium complexes for olefin metathesis reactions Studiengesellschaft Kohle mbH (DE) 1999-06-09 EP disclosed
EP-0905222-A2 Musk perfumes HAARMANN & REIMER GMBH (DE) 1999-03-31 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-20090162308-A1 USE OF 2,4'-DIMETHYLPROPIOPHENONE AS A FRAGRANCE SUBSTANCE CYP1B1, CYP4A22, ROS1 TSHR 4709/4885LMNA 4524/4885NFKB1 1471/4885
US-12031106-B2 Use of 1-ethyl-4,4-dimethyl-cyclohexane derivatives as fragrances ACMSD, ETV1, HTR1D TSHR 4578/4885LMNA 4604/4885NFKB1 976/4885

“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.