SCHEMBL4644411

SCHEMBL4644411

CCOC(=O)C(OC)C(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
NPC1 O15118 2/20 0.54
MEN1 O00255 1/20 0.54
PIN1 Q13526 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
PGR P06401 1/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
HTR2A P28223 1/20 0.45
HRH1 P35367 1/20 0.45
KCNH2 Q12809 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
MMP8 P22894 2/20 0.44
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL28683232 1.00 KMT2A (0.54) KMT2ANPC1MEN1PIN1ALDH1A1
SCHEMBL28762874 0.86 NPC1 (0.54) KMT2ANPC1MEN1PIN1ALDH1A1
SCHEMBL146504 0.83 TSHR (0.52) KMT2ANPC1MEN1ALDH1A1MAPT
SCHEMBL28227841 0.82 NPC1 (0.50) KMT2ANPC1MEN1PIN1ALDH1A1
SCHEMBL2680550 0.82 PGR (0.50) KMT2ANPC1MEN1ALDH1A1MAPT
SCHEMBL10606039 0.82 SMN1; SMN2 (0.46) KMT2ANPC1MEN1ALDH1A1HRH1
SCHEMBL10604429 0.82 LMNA (0.51) KMT2ANPC1MEN1ALDH1A1MAPT
SCHEMBL2098734 0.80 NPC1 (0.59) KMT2ANPC1MEN1PIN1ALDH1A1
SCHEMBL27715083 0.80 NPC1 (0.59) KMT2ANPC1MEN1PIN1ALDH1A1
SCHEMBL28226195 0.80 NPC1 (0.59) KMT2ANPC1MEN1PIN1ALDH1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116987919-A Aluminum alloy die casting for new energy automobile battery shell and preparation method thereof 上海嘉朗实业南通智能科技有限公司 2023-11-03 CN claimed
CN-116987919-A Aluminum alloy die casting for new energy automobile battery shell and preparation method thereof 上海嘉朗实业南通智能科技有限公司 2023-11-03 CN disclosed
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 disclosed
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 disclosed
CN-114989123-A Flavone-3-carboxylic acid compound, bactericidal composition containing compound and application 长江大学 2022-09-02 CN disclosed
CN-108728421-B Carbonyl reductase mutant and application thereof 中国科学院成都生物研究所 2021-12-28 CN disclosed
US-8288398-B2 Antiproliferative pyrimidyl, fused pyrimidyl and pyrimidyl hydrazones MERCK SERONO SA (CH) 2012-10-16 US disclosed
US-20120238575-A1 ANTIPROLIFERATIVE PYRIMIDYL, FUSED PYRIMIDYL AND PYRIMIDYL HYDRAZONES MERCK SERONO SA (CH) 2012-09-20 US 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

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-20080287474-A1 Antiproliferative Pyrimidyl, Fused Pyrimidyl and Pyrimidyl Hydrazones TYMP, DHFR, DPYD KMT2A 2069/4885NPC1 2298/4885MEN1 1194/4885
US-20120238575-A1 ANTIPROLIFERATIVE PYRIMIDYL, FUSED PYRIMIDYL AND PYRIMIDYL HYDRAZONES TYMP, DHFR, DPYD KMT2A 2069/4885NPC1 2298/4885MEN1 1194/4885

“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.