SCHEMBL3789174

SCHEMBL3789174

CCCCCCCCCC(=O)C1C(=O)OC(C)(C)OC1=O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.51
CDC25B P30305 5/20 0.51
ACP1 P24666 4/20 0.51
LMNA P02545 1/20 0.47
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
PRKCA P17252 1/20 0.43
CES2 O00748 3/20 0.39
CES1 P23141 3/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL3782935 1.00 PTPN1 (0.51) PTPN1CDC25BACP1LMNAKDM4E
SCHEMBL7239635 1.00 PTPN1 (0.51) PTPN1CDC25BACP1LMNAKDM4E
SCHEMBL7243740 0.98 PTPN1 (0.49) PTPN1CDC25BACP1LMNAKDM4E
SCHEMBL20826897 0.93 KDM4E (0.50) PTPN1CDC25BACP1LMNAKDM4E
SCHEMBL7995598 0.86 HSD17B10 (0.52) PTPN1CDC25BACP1LMNAKDM4E
SCHEMBL23281434 0.85 ALDH1A1 (0.44) PTPN1CDC25BACP1LMNAKDM4E
SCHEMBL31440186 0.81 KDM4E (0.42) PTPN1CDC25BACP1LMNAKDM4E
SCHEMBL7238832 0.81 ALDH1A1 (0.42) PTPN1CDC25BACP1LMNAKDM4E
SCHEMBL31603 0.80 BACE1 (0.44) PTPN1CDC25BACP1LMNAKDM4E
SCHEMBL19126937 0.79 EPHX2 (0.39) PTPN1CDC25BACP1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220411397-A1 ANALOGUES OF N-ACYL-HOMOSERINE LACTONES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME ECOLE NORMALE SUPERIEURE (FR) 2022-12-29 US disclosed
US-20220411397-A1 ANALOGUES OF N-ACYL-HOMOSERINE LACTONES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME ECOLE NORMALE SUPERIEURE (FR) 2022-12-29 US disclosed
CN-115209891-A Analogs of N-acyl-homoserine lactones and pharmaceutical compositions containing the same 索邦大学 2022-10-18 CN disclosed
EP-4048258-A1 ANALOGUES OF N-ACYL-HOMOSERINE LACTONES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME SORBONNE UNIVERSITE (FR) 2022-08-31 EP disclosed
WO-2021078952-A1 ANALOGUES OF N-ACYL-HOMOSERINE LACTONES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME SORBONNE UNIVERSITE (FR) 2021-04-29 WO disclosed
US-8436210-B2 Amide compound and bacterial disease control agent for agricultural and horticultural use THE UNIVERSITY OF TOKYO (JP) 2013-05-07 US disclosed
US-20100261920-A1 AMIDE COMPOUND AND BACTERIAL DISEASE CONTROL AGENT FOR AGRICULTURAL AND HORTICULTURAL USE THE UNIVERSITY OF TOKYO (JP) 2010-10-14 US disclosed
EP-2221293-A1 AMIDE COMPOUND AND BACTERIAL DISEASE CONTROL AGENT FOR AGRICULTURAL AND HORTICULTURAL USE The University of Tokyo (JP) 2010-08-25 EP 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-20100261920-A1 AMIDE COMPOUND AND BACTERIAL DISEASE CONTROL AGENT FOR AGRICULTURAL AND HORTICULTURAL USE BROX, NAAA, H1-2 PTPN1 2881/4885CDC25B 1477/4885ACP1 2967/4885
US-20220411397-A1 ANALOGUES OF N-ACYL-HOMOSERINE LACTONES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AHCYL1, LTC4S, AHCY PTPN1 629/4885CDC25B 2539/4885ACP1 836/4885

“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.