SCHEMBL800603

SCHEMBL800603

COC(=O)COc1ccc(C/C(C(=O)OC)=C(/C)C(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.43
POLB P06746 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 3/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GLA P06280 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
PPARD Q03181 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL800605 0.88 TDP1 (0.43) POLBL3MBTL1GLAADRB2ADRB1
SCHEMBL304483 0.87 PTGS2 (0.43) PTGS2POLBMEN1KMT2AL3MBTL1
SCHEMBL304481 0.87 PTGS2 (0.43) PTGS2POLBMEN1KMT2AL3MBTL1
SCHEMBL800095 0.83 POLB (0.41) POLBSMN1; SMN2GLAADRB2ADRB1
SCHEMBL8879627 0.81 POLB (0.53) PTGS2POLBMEN1KMT2AL3MBTL1
SCHEMBL800606 0.80 ESR1 (0.42) POLBSMN1; SMN2LMNA
Ethylene SCHEMBL10899157 0.79 PTGS2 (0.50) PTGS2POLBMEN1KMT2AL3MBTL1
SCHEMBL4275929 0.78 SMN1; SMN2 (0.58) PTGS2POLBMEN1KMT2AL3MBTL1
SCHEMBL800598 0.78 KMT2A (0.44) POLBKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL800092 0.77 MTNR1A (0.43) KMT2ASMN1; SMN2ALDH1A1GLAADRB2

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 PTGS2 1285/4885POLB 385/4885MEN1 332/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA PTGS2 1315/4885POLB 247/4885MEN1 339/4885

“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.