SCHEMBL4644404

SCHEMBL4644404

CCCC(=O)OC(=O)c1ccccc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 1/20 0.49
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
ALDH1A1 P00352 3/20 0.48
HPGD P15428 3/20 0.48
HTT P42858 2/20 0.46
CTNNB1 P35222 2/20 0.46
WNT3A P56704 2/20 0.46
MAPT P10636 3/20 0.46
NPSR1 Q6W5P4 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KMT2A Q03164 2/20 0.46
XBP1 P17861 1/20 0.46
HSD17B10 Q99714 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
HDAC8 Q9BY41 1/20 0.44
HDAC1 Q13547 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
SCHEMBL28189021 0.89 MEN1 (0.51) CTSDNPC1RAB9AALDH1A1HPGD
SCHEMBL27875398 0.88 CTSD (0.54) CTSDNPC1RAB9AESR1ESR2
SCHEMBL2891858 0.88 MEN1 (0.50) CTSDNPC1RAB9AALDH1A1MAPT
SCHEMBL27995993 0.86 POLB (0.52) NPC1RAB9AALDH1A1HPGDHTT
SCHEMBL28280045 0.86 TAS1R3 (0.53) CTSDESR1ESR2ALDH1A1HPGD
SCHEMBL7257515 0.86 ALDH1A1 (0.55) ALDH1A1L3MBTL1KMT2AHSD17B10LMNA
SCHEMBL27600938 0.85 KAT6A (0.42) CTSDNPC1RAB9AESR1ESR2
SCHEMBL28026700 0.84 KMT2A (0.51) ALDH1A1HTTMAPTNPSR1L3MBTL1
SCHEMBL28990208 0.83 ALDH1A1 (0.50) ALDH1A1L3MBTL1KMT2AHSD17B10LMNA
SCHEMBL28026711 0.83 IRAK4 (0.54) ALDH1A1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116180458-A Medical geothermal carpet fabric and preparation method thereof 江苏省华强纺织有限公司 2023-05-30 CN claimed
CN-109369592-A A kind of synthetic method of sweet orange flavones 陕西嘉禾生物科技股份有限公司 2019-02-22 CN claimed
CN-109020940-A A kind of synthetic method of scutellarin 陕西嘉禾生物科技股份有限公司 2018-12-18 CN claimed
CN-107876092-A The high stability titanium catalyst of ester exchange carbonate synthesis benzene methyl and diphenyl carbonate 华东理工大学 2018-04-06 CN claimed
CN-107417719-A A kind of titanium chelate catalyst for being used for carbonate synthesis benzene methyl and diphenyl carbonate 华东理工大学 2017-12-01 CN claimed
CN-105523874-A Preparation method of 2,2-dihalo-1,3-dicarbonyl derivatives ZHANGJIAGANG INST IND TECHNOLOGIES SOOCHOW UNIV 2016-04-27 CN claimed
CN-105503635-A Preparation method for 2-amidoformyl-1,3-dicarbonyl derivative UNIV SOOCHOW 2016-04-20 CN claimed
CN-105461496-A Preparation method for 2-halogenated-1,3-dicarbonyl derivative CHINASUN SPECIALTY PRODUCTS CO LTD 2016-04-06 CN claimed
CN-101463030-A Method for preparing anethol trithione FUJIAN SHENNA BIOENGINEERING C (CN) 2009-06-24 CN claimed
CN-109942523-B Benzofuran and benzofuran coumarin derivatives, and preparation method and application thereof 华东师范大学 2023-06-09 CN disclosed
CN-105646425-B A kind of preparation method of acacetin 上海医药工业研究院 2019-05-14 CN disclosed
CN-109651325-A Synthetic method of naphtho [1,2,3-de ] benzopyran-2, 7-diketone compound 青岛理工大学 2019-04-19 CN disclosed
CN-109020940-A A kind of synthetic method of scutellarin 陕西嘉禾生物科技股份有限公司 2018-12-18 CN disclosed
CN-109020940-A A kind of synthetic method of scutellarin 陕西嘉禾生物科技股份有限公司 2018-12-18 CN disclosed
CN-101463030-A Method for preparing anethol trithione FUJIAN SHENNA BIOENGINEERING C (CN) 2009-06-24 CN disclosed
US-20080287474-A1 Antiproliferative Pyrimidyl, Fused Pyrimidyl and Pyrimidyl Hydrazones LABORATOIRES SERONO SA (CH) 2008-11-20 US disclosed
EP-1957469-A1 ANTIPROLIFERATIVE PYRIMIDYL, FUSED PYRIMIDYL AND PYRIMIDYL HYDRAZONES Laboratoires Serono SA (CH) 2008-08-20 EP disclosed
WO-2007065940-A1 ANTIPROLIFERATIVE PYRIMIDYL, FUSED PYRIMIDYL AND PYRIMIDYL HYDRAZONES LABORATOIRES SERONO S.A. (CH) 2007-06-14 WO disclosed
CN-1252069-C 2-aryl-naphthyridin-4-ones as antitumor agents UNIV NORTH CAROLINA CHAPEL HILL (US) 2006-04-19 CN disclosed
CN-1259947-A 2-aryl-naphthyridin-4-ones as antitumor agents UNIV NORTH CAROLINA CHAPEL HILL (US) 2000-07-12 CN 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 (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-20080287474-A1 Antiproliferative Pyrimidyl, Fused Pyrimidyl and Pyrimidyl Hydrazones TYMP, DHFR, DPYD CTSD 4406/4885NPC1 2298/4885RAB9A 3387/4885

“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.