SCHEMBL800095

SCHEMBL800095

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
ITGB3 P05106 3/20 0.41
ITGA2B P08514 3/20 0.41
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
ACACB O00763 1/20 0.39
LMNA P02545 2/20 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

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 0.87 KDM4E (0.41) POLBITGB3ITGA2BKDM4ECYP1A2
SCHEMBL304366 0.87 KDM4E (0.41) POLBITGB3ITGA2BKDM4ECYP1A2
SCHEMBL10193657 0.85 ITGB3 (0.38) POLBITGB3ITGA2BKDM4ECYP1A2
SCHEMBL800605 0.85 TDP1 (0.43) POLBKDM4ECYP1A2LMNATDP1
SCHEMBL800092 0.83 MTNR1A (0.43) KDM4ECYP1A2SMN1; SMN2LMNATDP1
SCHEMBL800603 0.83 PTGS2 (0.43) POLBSMN1; SMN2LMNATDP1ADRB2
SCHEMBL800606 0.79 ESR1 (0.42) POLBKDM4ESMN1; SMN2LMNA
SCHEMBL10897821 0.79 POLB (0.54) POLBITGB3ITGA2BKDM4ECYP1A2
SCHEMBL800594 0.79 PARP10 (0.41) POLBHDAC6
SCHEMBL800499 0.78 TBXAS1 (0.62) KDM4ESMN1; SMN2LTA4HACACBLMNA

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 POLB 385/4885ITGB3 4794/4885ITGA2B 3950/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA POLB 247/4885ITGB3 4801/4885ITGA2B 3649/4885

“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.