SCHEMBL3296385

SCHEMBL3296385

O=C(OCc1ccccc1)C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
KMT2A Q03164 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
MAPK1 P28482 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A3 Q01959 1/20 0.55
PTPN1 P18031 3/20 0.54
PTPRC P08575 1/20 0.54
MEN1 O00255 1/20 0.53
CES1 P23141 1/20 0.52
LMNA P02545 2/20 0.50
HCAR2 Q8TDS4 1/20 0.50

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
SCHEMBL27923357 0.98 ALDH1A1 (0.55) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
Acetic Acid SCHEMBL27401419 0.94 ALDH1A1 (0.61) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
Dimethylamine SCHEMBL27585618 0.93 KMT2A (0.55) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
Trimethylammonium SCHEMBL27550267 0.93 ALDH1A1 (0.55) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL9258815 0.90 CA1 (0.47) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
Methyl Carbamate SCHEMBL28506255 0.88 KMT2A (0.55) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL7420439 0.88 MAOB (0.58) ALDH1A1L3MBTL1SLC6A2SLC6A3PTPN1
SCHEMBL29079466 0.87 ALDH1A1 (0.60) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL543540 0.86 ALDH1A1 (0.55) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL27694802 0.85 ALDH1A1 (0.50) ALDH1A1KMT2ATDP1MAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117534620-A Preparation method of palladium-catalyzed hydrocarbon bond functionalized 2-trifluoromethyl benzimidazole compound 六盘水师范学院 2024-02-09 CN claimed
CN-108883080-A Novel muramyl peptide derivative compounds, their synthesis and use thereof 巴拉特生物技术国际有限公司 2018-11-23 CN claimed
CN-108884132-A Novel muramyl peptide derivative compound, its synthesis and application thereof 巴拉特生物技术国际有限公司 2018-11-23 CN claimed
EP-3389643-A1 NOVEL MURAMYL PEPTIDE DERIVATIVE COMPOUND, SYNTHESIS AND USES THEREOF Bharat Biotech International Limited (IN) 2018-10-24 EP claimed
WO-2017103944-A1 NOVEL MURAMYL PEPTIDE DERIVATIVE COMPOUND, SYNTHESIS AND USES THEREOF BHARAT BIOTECH INTERNATIONAL LIMITED (IN) 2017-06-22 WO claimed
CN-106146614-A A kind of preparation method of RGD tripeptides 沈阳科海医药科技有限公司 2016-11-23 CN claimed
US-5162469-A Copolymer of Fluoromonomer and Hydrophobic Hydrolyzable Silicone Monomer OPTICAL RESEARCH INC. (US) 1992-11-10 US claimed
WO-1992018548-A1 NOVEL COMPOSITION FOR CONTACT LENSES OPTICAL RESEARCH, INC. (US) 1992-10-29 WO claimed
CN-116751118-B Preparation method of chiral alpha-alkyl-alpha-benzyl tetralone compound 苏州凯若利新材料科技有限公司 2025-05-30 CN disclosed
CN-116751118-B Preparation method of chiral alpha-alkyl-alpha-benzyl tetralone compound 苏州凯若利新材料科技有限公司 2025-05-30 CN disclosed
US-12145139-B2 Manganese based complexes and uses thereof for homogeneous catalysis YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2024-11-19 US disclosed
CN-113365632-B Aminopyrimidine compounds 卡都瑞恩医药有限公司 2024-03-08 CN disclosed
CN-117534620-A Preparation method of palladium-catalyzed hydrocarbon bond functionalized 2-trifluoromethyl benzimidazole compound 六盘水师范学院 2024-02-09 CN disclosed
US-20230372915-A1 MANGANESE BASED COMPLEXES AND USES THEREOF FOR HOMOGENEOUS CATALYSIS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2023-11-23 US disclosed
US-4595765-A Process for preparing 5,6-dihydroxyindole CLAIROL INCORPORATED (US) 1986-06-17 US disclosed
EP-0182157-A2 Ester derivatives of antibiotic L 17046 GRUPPO LEPETIT S.p.A. (IT) 1986-05-28 EP disclosed
EP-0092136-B1 BENZOQUINONE DERIVATIVES AND PRODUCTION THEREOF Takeda Chemical Industries, Ltd. (JP) 1985-08-28 EP disclosed
US-4526719-A Benzoquinone derivatives and production thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-07-02 US disclosed
EP-0092136-A1 Benzoquinone derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1983-10-26 EP disclosed
US-4152230-A PHOTOOXIDATION PROCESS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-05-01 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-20230372915-A1 MANGANESE BASED COMPLEXES AND USES THEREOF FOR HOMOGENEOUS CATALYSIS ADH1C, OTC, MLEC ALDH1A1 1959/4885KMT2A 843/4885TDP1 4487/4885
US-12145139-B2 Manganese based complexes and uses thereof for homogeneous catalysis ADH1C, OTC, MLEC ALDH1A1 1959/4885KMT2A 843/4885TDP1 4487/4885

“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.