SCHEMBL800606

SCHEMBL800606

COC(=O)/C(Cc1ccc(O)cc1)=C(\C)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.42
ESR2 Q92731 3/20 0.42
CA2 P00918 4/20 0.42
CAMK2A Q9UQM7 1/20 0.42
POLB P06746 1/20 0.41
MIF P14174 1/20 0.40
KDM4E B2RXH2 1/20 0.39
F13A1 P00488 1/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
CA1 P00915 2/20 0.37
CA12 O43570 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
SLC7A5 Q01650 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL800598 0.85 KMT2A (0.44) CA2POLBCA1SMN1; SMN2
SCHEMBL304960 0.84 ESR1 (0.42) ESR1ESR2CA2CAMK2APOLB
SCHEMBL304962 0.84 ESR1 (0.42) ESR1ESR2CA2CAMK2APOLB
SCHEMBL800594 0.84 PARP10 (0.41) CA2POLBCA1
SCHEMBL800603 0.80 PTGS2 (0.43) POLBLMNASMN1; SMN2
SCHEMBL800605 0.79 TDP1 (0.43) POLBKDM4ELMNA
SCHEMBL800095 0.79 POLB (0.41) POLBKDM4ELMNASMN1; SMN2
SCHEMBL800602 0.77 SPHK2 (0.43) CA2KDM4ECA1CA12CA9
SCHEMBL800777 0.75 HPGD (0.51) KDM4EHTTLMNASMN1; SMN2
SCHEMBL800073 0.75 HPGD (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS MEIJI SEIKA KAISHA (JP) 2016-06-02 US disclosed
US-9260375-B2 Metallo-β-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2016-02-16 US disclosed
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS CHIKAUCHI KEN (JP) 2012-03-22 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-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA ESR1 2946/4885ESR2 2409/4885CA2 313/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA ESR1 2854/4885ESR2 2405/4885CA2 355/4885

“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.