SCHEMBL111840

SCHEMBL111840

O=C(CC(Cl)(Cl)Cl)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
MAPK1 P28482 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
TDP1 Q9NUW8 2/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
KMT2A Q03164 1/20 0.52
LMNA P02545 3/20 0.47
HCAR2 Q8TDS4 1/20 0.47
CDC25B P30305 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL6869341 0.87 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL6868590 0.83 ALDH1A1 (0.63) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL12586386 0.81 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL6870640 0.81 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL10243854 0.81 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL23142607 0.81 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL8429042 0.81 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL27928375 0.81 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL19788039 0.81 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL2847154 0.80 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2

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 863 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-109152711-B Method for producing perfume capsules with improved surfactant stability 西姆莱斯股份公司 2021-10-22 CN claimed
EP-3884018-A1 JASMOL Symrise AG (DE) 2021-09-29 EP claimed
US-10876081-B2 Method for the production of scent capsules with improved surfactant stability SYMRISE AG (DE) 2020-12-29 US claimed
EP-3423028-B1 METHOD FOR THE PRODUCTION OF ENCAPSULATED FRAGRANCE WITH IMPROVED STABILITY AGAINST DETERGENTS SYMRISE AG (DE) 2020-04-08 EP claimed
CN-108084521-A A kind of fragrant rubber of toy car tire 沈阳赛亚橡胶制品有限公司 2018-05-29 CN claimed
EP-1209528-B1 Photoresist composition ETERNAL TECHNOLOGY CORP (US) 2015-07-22 EP claimed
EP-2072083-B1 Utilisation of 2.4'-dimethyl-propiophenon as an aroma SYMRISE AG (DE) 2012-02-15 EP claimed
WO-2011147455-A1 FLAVORING SUBSTANCE-INCLUDED COMPOUNDS SYMRISE AG (DE) 2011-12-01 WO claimed
US-20060166857-A1 4,8-Dimethyl-7-nonen-2-one and 4,8-dimethylnonan-2-one used as perfumes SYMRISE GMBH & CO. KG (DE) 2006-07-27 US claimed
EP-1599743-A2 THREE-DIMENTIONAL DOSIMETER FOR PENETRATING RADIATION AND METHOD OF USE Heuris Pharma LLC (US) 2005-11-30 EP claimed
US-6818375-B2 FOR MANUFACTURING PRINTED WIRING BOARDS ETERNAL TECHNOLOGY CORPORATION 2004-11-16 US claimed
US-20040211917-A1 Three-dimensional dosimeter for penetrating radiation and method of use HEURIS PHARMA, LLC 2004-10-28 US claimed
WO-2004079393-A2 THREE-DIMENTIONAL DOSIMETER FOR PENETRATING RADIATION AND METHOD OF USE HEURIS PHARMA LLC (US) 2004-09-16 WO claimed
US-20020132180-A1 Photoresist composition SHIPLEY COMPANY, L.L.C. (US) 2002-09-19 US claimed
EP-1209528-A1 Photoresist composition Shipley Co. L.L.C. (US) 2002-05-29 EP claimed
US-6306203-B1 FOR USE IN INK JET PRINTING, INCLUDING PIEZOELECTRIC INK JET PRINTING AND ACOUSTIC INK JET PRINTING XEROX CORPORATION 2001-10-23 US claimed
US-12630783-B2 Muguet type fragrance compounds SYMRISE AG (DE) 2026-05-19 US disclosed
US-4948395-A Permethylated hydroxy ehters of cyclodextrins ADVANCED SEPARATIONS TECHNOLOGIES INC. (US) 1990-08-14 US disclosed
US-4421689-A Derivatives of 1,5-dimethylbicyclo [3,2,1] octane, the preparation of these compounds and their use as perfume compound SHELL ITERNATIONAL RESEARCH MAATSCHAPPIJ B.V., THE NETHERLANDS A COMPANY OF THE NETHERLANDS (NL) 1983-12-20 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 (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-12630783-B2 Muguet type fragrance compounds MGAT1, RFT1, CPT1A ALDH1A1 132/4885MAPK1 1662/4885L3MBTL1 337/4885
US-10876081-B2 Method for the production of scent capsules with improved surfactant stability SMOX, LIPA, SGMS2 ALDH1A1 804/4885MAPK1 4314/4885L3MBTL1 4760/4885

“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.