SCHEMBL2229574

SCHEMBL2229574

CCC(C)OC(=O)C(O)CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.41
MAPT P10636 2/20 0.41
GPR84 Q9NQS5 4/20 0.33
ALOX15 P16050 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
GABRR1 P24046 2/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL29249145 0.85 SMN1; SMN2 (0.40) SMN1; SMN2SLC22A6GPR84ALDH1A1
SCHEMBL28355468 0.83 MAPT (0.41) MAPTTSHR
SCHEMBL26073636 0.82 SMN1; SMN2 (0.38) SMN1; SMN2SLC22A6ALOX15ALDH1A1TSHR
SCHEMBL29249169 0.82 FAAH (0.47) SMN1; SMN2GPR84ALDH1A1
SCHEMBL11865413 0.82 MAPT (0.41) SMN1; SMN2SLC22A6MAPTGPR84ALOX15
SCHEMBL19359076 0.81 SMN1; SMN2 (0.48) SMN1; SMN2SLC22A6MAPTGPR84ALOX15
SCHEMBL5586418 0.81 SMN1; SMN2 (0.48) SMN1; SMN2SLC22A6MAPTGPR84ALOX15
SCHEMBL305577 0.81 SMN1; SMN2 (0.48) SMN1; SMN2SLC22A6MAPTGPR84ALOX15
SCHEMBL31289248 0.81 SMN1; SMN2 (0.48) SMN1; SMN2SLC22A6MAPTGPR84ALOX15
SCHEMBL11178461 0.81 MAPT (0.36) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8874019-B2 Image forming method KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2014-10-28 US claimed
US-20130202336-A1 IMAGE FORMING METHOD KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2013-08-08 US claimed
CN-111201321-B Genetically modified isopropyl malate isomerase enzyme complex and preparation of elongated 2-keto acids and C using same5-C10Method for preparing compounds 陶氏环球技术有限责任公司 2024-07-12 CN disclosed
CN-114755318-B Tracing analysis method for natural components in flavoring essence 浙江中烟工业有限责任公司 2024-05-03 CN disclosed
US-11883518-B2 Method for dyeing keratinous material, comprising the use of an organosilicon compound, an hydroxycarboxylic acid ester, a diol and a dyeing compound HENKEL AG & CO. KGAA (DE) 2024-01-30 US disclosed
CN-116669699-A Biorenewable elastomeric gel and uses thereof 迈图高新材料公司 2023-08-29 CN disclosed
US-20230069450-A1 PIGMENT SUSPENSION AND COSMETIC AGENT PREPARED BY USING THE PIGMENT SUSPENSION HENKEL AG & CO. KGAA (DE) 2023-03-02 US disclosed
US-20230059044-A1 METHOD FOR DYEING KERATINOUS MATERIAL, COMPRISING THE USE OF AN ORGANOSILICON COMPOUND, AN HYDROXYCARBOXYLIC ACID ESTER, A DIOL AND A DYEING COMPOUND HENKEL AG & CO. KGAA (DE) 2023-02-23 US disclosed
CN-114755318-A Tracing analysis method for natural components in flavoring essence 浙江中烟工业有限责任公司 2022-07-15 CN disclosed
US-8874019-B2 Image forming method KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2014-10-28 US disclosed
US-20140303249-A1 TOPICAL FUNGICIDAL AGENTS FOR TREATING NAIL DISORDERS BIOEQUAL AG (CH) 2014-10-09 US disclosed
CN-101280229-B Alcohol fuel additive capable of preventing metal corrosion and inhibiting rubber swelling YUNCHENG FENGXI NEW ENERGY DEV CO LTD 2011-05-11 CN disclosed
US-20100204323-A1 ANTIMICROBIAL COMPOSITIONS COMPRISING ORGANIC ACID ESTERS AND METHODS FOR REDUCING VIRUS AND BACTERIAL POPULATIONS USING SUCH COMPOSITIONS THE DIAL CORPORATION (US) 2010-08-12 US disclosed
US-20100113593-A1 TOPICAL FUNGICIDAL AGENTS FOR TREATING NAIL DISORDERS BIOEQUAL NOVA AG (CH) 2010-05-06 US disclosed
US-20090047223-A1 Improvements in or Related to Organic Compoounds GIVAUDAN SA (CH) 2009-02-19 US disclosed
CN-101280229-A Alcohol fuel additive capable of preventing metal corrosion and inhibiting rubber swelling YUNCHENG FENGXI NEW ENERGY DEV (CN) 2008-10-08 CN disclosed
EP-1966117-A1 IMPROVEMENTS IN OR RELATED TO ORGANIC COMPOUNDS Givaudan SA (CH) 2008-09-10 EP disclosed
WO-2007071085-A1 IMPROVEMENTS IN OR RELATED TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2007-06-28 WO disclosed
US-20060241226-A1 GAP-FILLING CYANOACRYLATE ADHESIVE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2006-10-26 US disclosed
US-6740326-B1 WATER-FREE TOPICAL APPLICATION COMPOSITION FOR TREATMENT OF NAIL DISEASES AND NAIL CARE CONSISTING OF ANTIMYCOTIC AGENT AND LOWER ALKYL ESTER OF LACTIC ACID, MALIC ACID, TARTARIC ACID OR CITRIC ACID AS PENETRATION PROMOTING CARRIER BIOEQUAL AG (CH) 2004-05-25 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 (5 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-11883518-B2 Method for dyeing keratinous material, comprising the use of an organosilicon compound, an hydroxycarboxylic acid ester, a diol and a dyeing compound KRT18, DSG1, DSC1 SMN1; SMN2 4585/4885SLC22A6 1555/4885MAPT 3814/4885
US-20090047223-A1 Improvements in or Related to Organic Compoounds LPO, OTC, OAT SMN1; SMN2 1471/4885SLC22A6 1247/4885MAPT 3152/4885
US-20100204323-A1 ANTIMICROBIAL COMPOSITIONS COMPRISING ORGANIC ACID ESTERS AND METHODS FOR REDUCING VIRUS AND BACTERIAL POPULATIONS USING SUCH COMPOSITIONS CREB1, AMPD1, AMPD3 SMN1; SMN2 3167/4885SLC22A6 2647/4885MAPT 4491/4885
US-20230069450-A1 PIGMENT SUSPENSION AND COSMETIC AGENT PREPARED BY USING THE PIGMENT SUSPENSION KIT, TYR, RCC1 SMN1; SMN2 3445/4885SLC22A6 2016/4885MAPT 3083/4885
US-20230059044-A1 METHOD FOR DYEING KERATINOUS MATERIAL, COMPRISING THE USE OF AN ORGANOSILICON COMPOUND, AN HYDROXYCARBOXYLIC ACID ESTER, A DIOL AND A DYEING COMPOUND KRT18, DSG1, DSC1 SMN1; SMN2 4585/4885SLC22A6 1555/4885MAPT 3814/4885

“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.