3-Methylorsellinic Acid

3-Methylorsellinic Acid

SCHEMBL963740

Cc1cc(O)c(C)c(O)c1C(=O)O

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.61
MAPT P10636 3/20 0.61
ACHE P22303 1/20 0.55
LDHA P00338 4/20 0.50
LDHB P07195 4/20 0.50
IDO1 P14902 2/20 0.48
SLC37A4 O43826 1/20 0.48
KMT2A Q03164 3/20 0.46
POLB P06746 3/20 0.46
MEN1 O00255 2/20 0.46
HPGD P15428 2/20 0.46
GFER P55789 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
APP P05067 1/20 0.43
PTPN1 P18031 1/20 0.43
BACE1 P56817 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
3-Methylorsellinic Acid SCHEMBL30016632 1.00 CYP3A4 (0.61) CYP3A4MAPTACHELDHALDHB
3-Methylorsellinic Acid SCHEMBL31741224 1.00 CYP3A4 (0.61) CYP3A4MAPTACHELDHALDHB
3-Methylorsellinic Acid SCHEMBL20912954 0.89 CYP3A4 (0.51) CYP3A4MAPTACHELDHALDHB
SCHEMBL8830308 0.86 CYP3A4 (0.55) CYP3A4MAPTACHELDHALDHB
SCHEMBL8776785 0.84 CYP3A4 (0.52) CYP3A4MAPTACHELDHALDHB
SCHEMBL19193899 0.84 CYP3A4 (0.63) CYP3A4MAPTACHELDHALDHB
SCHEMBL28669355 0.84 CYP3A4 (0.57) CYP3A4MAPTACHELDHALDHB
SCHEMBL23600937 0.84 CYP3A4 (0.52) CYP3A4MAPTACHELDHALDHB
SCHEMBL2977807 0.84 CYP3A4 (0.57) CYP3A4MAPTACHELDHALDHB
SCHEMBL29434001 0.83 CYP3A4 (0.67) CYP3A4MAPTACHELDHALDHB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111051483-B Esters and ethers of 2, 4-tetramethyl cyclobutane-1, 3-diol as fragrance chemicals 巴斯夫欧洲公司 2025-01-24 CN claimed
WO-2024209462-A1 ANTI-BIOFILM POLYMER COMPOSITIONS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2024-10-10 WO claimed
EP-3856130-B1 ANTIPERSPIRANT OR DEODORANT COMPOSITION FIRMENICH & CIE (CH) 2024-06-12 EP claimed
EP-4347758-A1 FRAGRANCE FOR IMPROVING HAPPINESS STATE AND METHOD OF ASSESSING Givaudan SA (CH) 2024-04-10 EP claimed
EP-3416729-B1 PRO-FRAGRANCE COMPOSITION AQDOT LTD (GB) 2023-09-20 EP claimed
US-20230242843-A1 GREEN SOLVENT, LAUNDRY COMPOSITION COMPRISING SAME, AND WASHING MACHINE LG HOUSEHOLD & HEALTH CARE LTD. (KR) 2023-08-03 US claimed
EP-4180509-A1 GREEN SOLVENT, LAUNDRY COMPOSITION COMPRISING SAME, AND WASHING MACHINE LG Household & Health Care Ltd. (KR) 2023-05-17 EP claimed
EP-4144217-A1 ANTIMICROBIAL COMPOSITION FOR HARD SURFACES Viraschutz Europe S.r.l. (IT) 2023-03-08 EP claimed
CN-115702234-A Environment-friendly solvent, and washing composition and washing device comprising same 株式会社LG生活健康 2023-02-14 CN claimed
CN-113604448-B Polyketide synthase Preu3 and application thereof in preparation of 2,4-dihydroxy-3,6-dimethylbenzoic acid 中南民族大学 2022-11-29 CN claimed
WO-2016049458-A1 DELIVERY SYSTEMS COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO claimed
EP-2084254-B1 FRAGRANCE COMPOSITIONS GIVAUDAN NEDERLAND SERVICES BV (NL) 2015-02-25 EP claimed
EP-2084255-B1 FRAGRANCE COMPOSITIONS GIVAUDAN NEDERLAND SERVICES BV (NL) 2014-01-22 EP claimed
US-20130298933-A1 METHOD FOR STRAIGHTENING KERATINOUS FIBERS USING HEATING MEANS AND AN AROMATIC COMPOUND L'OREAL (FR) 2013-11-14 US claimed
EP-2049638-B1 PERFUME COMPOSITIONS GIVAUDAN NEDERLAND SERVICES BV (NL) 2012-10-03 EP claimed
US-20100300472-A1 METHOD FOR STRAIGHTENING KERATINOUS FIBERS USING HEATING MEANS AND AN AROMATIC COMPOUND L'OREAL S.A. (FR) 2010-12-02 US claimed
US-20080318916-A1 Novel alpha glucosidase inhibitors from lichens DEPARTMENT OF CHEMISTRY, UNIVERSITY OF PERADENIYA (LK) 2008-12-25 US claimed
EP-1697386-B1 ACTIVE INGREDIENT-RELEASING CYCLIC SILOXANES GEN ELECTRIC (US) 2007-10-10 EP claimed
US-20070020210-A1 Methods of reducing the perception of body odors with olfactory adaptation and cross-adapting agents MONELL CHEMICAL SENSES CENTER 2007-01-25 US claimed
EP-1056739-B1 NOVEL CYCLIC PRO-PERFUMES HAVING MODIFIABLE FRAGRANCE RAW MATERIAL ALCOHOL RELEASE RATE PROCTER & GAMBLE (US) 2003-05-02 EP claimed

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-20100300472-A1 METHOD FOR STRAIGHTENING KERATINOUS FIBERS USING HEATING MEANS AND AN AROMATIC COMPOUND KRT18, TUBB4A, TUBB4B CYP3A4 570/4885MAPT 66/4885ACHE 4025/4885

“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.