SCHEMBL305322

SCHEMBL305322

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
KMT2A Q03164 1/20 0.40
ALDH1A3 P47895 1/20 0.36
POLB P06746 1/20 0.36
EPHX2 P34913 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
TYR P14679 1/20 0.35
CYP2A6 P11509 1/20 0.35
MIF P14174 1/20 0.35
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
HTT P42858 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33

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
SCHEMBL305320 1.00 ALDH1A1 (0.41) ALDH1A1KMT2AALDH1A3POLBEPHX2
SCHEMBL304962 0.84 ESR1 (0.42) POLBMIFLMNAHTT
SCHEMBL304058 0.84 CYP4F2 (0.39) ALDH1A1KMT2APOLBLMNAHPGD
SCHEMBL304057 0.84 CYP4F2 (0.39) ALDH1A1KMT2APOLBLMNAHPGD
SCHEMBL304960 0.84 ESR1 (0.42) POLBMIFLMNAHTT
SCHEMBL304844 0.81 ALDH1A1 (0.42) ALDH1A1KMT2APOLBNR1H4MAPT
SCHEMBL304846 0.81 ALDH1A1 (0.42) ALDH1A1KMT2APOLBNR1H4MAPT
SCHEMBL304341 0.80 PARP10 (0.41) EPHX2NR1H4
SCHEMBL304343 0.80 PARP10 (0.41) EPHX2NR1H4
SCHEMBL305321 0.79 KMT2A (0.38) ALDH1A1KMT2AALDH1A3POLBNR1H4

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 ALDH1A1 372/4885KMT2A 1979/4885ALDH1A3 706/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA ALDH1A1 372/4885KMT2A 1979/4885ALDH1A3 706/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA ALDH1A1 461/4885KMT2A 1961/4885ALDH1A3 806/4885

“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.