SCHEMBL4022644

SCHEMBL4022644

O=C(O)c1ccccc1N(c1ccc(-c2ccc(N(c3ccccc3C(=O)O)c3ccccc3C(=O)O)cc2)cc1)c1ccccc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
ALOX15 P16050 1/20 0.48
CDC25B P30305 1/20 0.47
ATM Q13315 1/20 0.47
ACMSD Q8TDX5 3/20 0.43
HNF4A P41235 2/20 0.43
DHFR P00374 1/20 0.43
MCL1 Q07820 1/20 0.43
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
HMGB1 P09429 1/20 0.42
HPGD P15428 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA7 P43166 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA9 Q16790 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
SCHEMBL17197587 0.94 CDC25B (0.50) ALDH1A1ALOX15CDC25BATMACMSD
SCHEMBL30695527 0.94 ALDH1A1 (0.54) ALDH1A1ALOX15MAPTKDM4ECA12
SCHEMBL13587852 0.90 ALDH1A1 (0.54) ALDH1A1ALOX15MAPTKDM4ECA12
SCHEMBL1227194 0.86 ALDH1A1 (0.54) ALDH1A1ALOX15MAPTKDM4ECA12
SCHEMBL13066508 0.83 ALDH1A1 (0.62) ALDH1A1ALOX15MAPTKDM4ECA12
SCHEMBL10361182 0.80 MMP2 (0.46) ALDH1A1ALOX15CDC25BMAPTKDM4E
SCHEMBL28410351 0.80 FTO (0.45) ALOX15KDM4EPTPN1DHODHACLY
SCHEMBL17197528 0.80 CDC25B (0.38) ALDH1A1ALOX15CDC25BATMACMSD
SCHEMBL27560780 0.78 ALDH1A1 (0.46) ALDH1A1ALOX15SMN1; SMN2PTPN1LTB4R2
SCHEMBL1239567 0.78 PTPN1 (0.59) CDC25BATMPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10266737-B2 Adsorption systems using metal-organic frameworks ARKEMA INC. (US) 2019-04-23 US disclosed
WO-2018212594-A1 POROUS COMPOSITE HAVING METAL-ORGANIC CLUSTERS DISPERSED IN MESOPORES OF CARRIER AND METHOD FOR SEPARATING PROPANE-PROPYLENE GAS MIXTURE USING SAME 한국화학연구원 2018-11-22 WO disclosed
US-20150291870-A1 ADSORPTION SYSTEMS USING METAL-ORGANIC FRAMEWORKS ARKEMA INC. 2015-10-15 US disclosed
EP-2885365-A2 ADSORPTION SYSTEMS USING METAL-ORGANIC FRAMEWORKS Arkema, Inc. (US) 2015-06-24 EP disclosed
WO-2014028574-A9 ADSORPTION SYSTEMS USING METAL-ORGANIC FRAMEWORKS ARKEMA INC. (US) 2015-04-02 WO disclosed
WO-2014028574-A2 ADSORPTION SYSTEMS USING METAL-ORGANIC FRAMEWORKS ARKEMA INC. (US) 2014-02-20 WO disclosed
WO-2009093817-A2 METAL ORGANIC FRAMEWORK COMPRISING METAL NONOPARTICLES AND ITS USE FOR GAS STORAGE MATERIAL SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2009-07-30 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-20150291870-A1 ADSORPTION SYSTEMS USING METAL-ORGANIC FRAMEWORKS PFAS, CHIA, PARN ALDH1A1 1737/4885ALOX15 2929/4885CDC25B 2226/4885
US-10266737-B2 Adsorption systems using metal-organic frameworks PFAS, CHIA, PARN ALDH1A1 1737/4885ALOX15 2929/4885CDC25B 2226/4885

“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.