SCHEMBL304366

SCHEMBL304366

COC(=O)C(Cc1ccc(OCCN)cc1)=C(C(=O)OC)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 1/20 0.41
PDE4A P27815 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
LTA4H P09960 1/20 0.39
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39
POLB P06746 1/20 0.38
LMNA P02545 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
CNR1 P21554 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38

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
SCHEMBL304364 1.00 KDM4E (0.41) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL800095 0.87 POLB (0.41) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL304237 0.85 TDP1 (0.43) KDM4ECYP1A2POLBLMNATDP1
SCHEMBL304235 0.85 TDP1 (0.43) KDM4ECYP1A2POLBLMNATDP1
SCHEMBL306159 0.83 MTNR1A (0.40) KDM4ECYP1A2SMN1; SMN2LMNATDP1
SCHEMBL304481 0.83 PTGS2 (0.43) SMN1; SMN2POLBLMNATDP1ADRB2
SCHEMBL304483 0.83 PTGS2 (0.43) SMN1; SMN2POLBLMNATDP1ADRB2
SCHEMBL10193657 0.83 ITGB3 (0.38) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
Hydrochloric Acid SCHEMBL306158 0.83 MTNR1A (0.40) KDM4ECYP1A2SMN1; SMN2LMNATDP1
SCHEMBL10193658 0.82 LTA4H (0.44) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2

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
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
US-8093294-B2 Bacterial infections; effective for recovering the activities of beta-lactam antibiotics; 2-ethyl-3-methylmaleic acid dimethyl ester; maleic acid derivatives and/or dihydrofuranyl derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2012-01-10 US disclosed
EP-1941873-A1 METALLO-BETA-LACTAMASE INHIBITOR MEIJI SEIKA KAISHA LTD. (JP) 2008-07-09 EP disclosed
US-20080090825-A1 Metallo-beta-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2008-04-17 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 (3 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-20080090825-A1 Metallo-beta-lactamase inhibitors ME1, MGAM, GAA KDM4E 2771/4885CYP1A2 749/4885CYP2D6 1085/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA KDM4E 2771/4885CYP1A2 749/4885CYP2D6 1085/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA KDM4E 2768/4885CYP1A2 715/4885CYP2D6 955/4885

“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.