SCHEMBL45902

SCHEMBL45902

CCC(=O)NCCCCC(=O)O

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.74
KMT2A Q03164 1/20 0.74
ADRA1A P35348 1/20 0.61
PRMT1 Q99873 1/20 0.59
EPHX2 P34913 9/20 0.57
PLA2G2A P14555 1/20 0.55
CASP2 P42575 1/20 0.50
AKR1B1 P15121 1/20 0.50
PLA2G4A P47712 1/20 0.50
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL20009655 0.98 MEN1 (0.71) MEN1KMT2AADRA1APRMT1EPHX2
SCHEMBL19400289 0.98 MEN1 (0.71) MEN1KMT2AADRA1APRMT1EPHX2
SCHEMBL9265462 0.98 MEN1 (0.71) MEN1KMT2AADRA1APRMT1EPHX2
SCHEMBL19400283 0.98 MEN1 (0.71) MEN1KMT2AADRA1APRMT1EPHX2
SCHEMBL5522638 0.98 MEN1 (0.71) MEN1KMT2AADRA1APRMT1EPHX2
SCHEMBL1912627 0.93 MEN1 (0.70) MEN1KMT2AADRA1APRMT1EPHX2
SCHEMBL17229157 0.86 MEN1 (1.00) MEN1KMT2ACASP2KDM4E
SCHEMBL9830305 0.85 CASP2 (0.70) MEN1KMT2AADRA1APRMT1EPHX2
SCHEMBL1709332 0.84 MEN1 (0.61) MEN1KMT2AADRA1AEPHX2PLA2G2A
SCHEMBL31317660 0.84 PRMT1 (0.67) MEN1KMT2AADRA1APRMT1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023150540-A1 HYDROXAMIC ACID MACROCYCLIC AGENTS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. (US) 2023-08-10 WO disclosed
US-10239878-B2 Macrocyclic ligands with pendant chelating moieties and complexes thereof LUMIPHORE, INC. (US) 2019-03-26 US disclosed
US-20180194766-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. 2018-07-12 US disclosed
US-9522980-B2 Non-reactive, hydrophilic polymers having terminal siloxanes and methods for making and using the same JOHNSON & JOHNSON VISION CARE, INC. (US) 2016-12-20 US disclosed
WO-2011140318-A1 NON-REACTIVE, HYDROPHILIC POLYMERS HAVING TERMINAL SILOXANES AND USES OF THE SAME JOHNSON & JOHNSON VISION CARE, INC. (US) 2011-11-10 WO disclosed
US-20110275734-A1 NON-REACTIVE, HYDROPHILIC POLYMERS HAVING TERMINAL SILOXANES AND METHODS FOR MAKING AND USING THE SAME JOHNSON & JOHNSON VISION CARE, INC. 2011-11-10 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-20180194766-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 MEN1 390/4885KMT2A 3990/4885ADRA1A 4485/4885
US-10239878-B2 Macrocyclic ligands with pendant chelating moieties and complexes thereof TFRC, CLTC, SLC39A3 MEN1 390/4885KMT2A 3990/4885ADRA1A 4485/4885

“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.