SCHEMBL800784

SCHEMBL800784

CC(C)/C=C(\Cc1ccc(OCC(=O)O)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
PPARG P37231 2/20 0.43
PPARD Q03181 2/20 0.43
FFAR1 O14842 2/20 0.43
PPARA Q07869 1/20 0.43
PLA2G4B P0C869 1/20 0.43
NR4A1 P22736 1/20 0.42
APEX1 P27695 1/20 0.42
CYP19A1 P11511 1/20 0.41

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
SCHEMBL800089 0.89 CYP19A1 (0.43) TSHRSMN1; SMN2MAPTCYP19A1
SCHEMBL800077 0.84 HTT (0.54) ALDH1A1SMN1; SMN2FFAR1
SCHEMBL800614 0.83 LTA4H (0.44) CYP19A1
SCHEMBL800118 0.80 CA2 (0.52)
SCHEMBL800484 0.78 CYP3A4 (0.58) ALDH1A1TSHRMAPK1
SCHEMBL800588 0.77 ALDH1A1 (0.47) ALDH1A1TSHRSMN1; SMN2MAPTNR4A1
SCHEMBL800506 0.76 NPC1 (0.42) ALDH1A1TSHRSMN1; SMN2ALOX15MAPT
SCHEMBL9832704 0.76 ALOX15 (0.63) ALDH1A1TSHRSMN1; SMN2ALOX15MAPT
SCHEMBL10702376 0.75 ALDH1A1 (0.57) ALDH1A1TSHRSMN1; SMN2ALOX15MAPT
SCHEMBL10702374 0.75 ALOX15 (0.57) ALDH1A1TSHRSMN1; SMN2ALOX15MAPT

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 5 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-9115079-B2 NDM inhibitor MEIJI SEIKA PHARMA CO., LTD. (JP) 2015-08-25 US disclosed
US-20140221330-A1 NDM INHIBITOR MEIJI SEIKA PHARMA CO., LTD. (JP) 2014-08-07 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 (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-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA ALDH1A1 372/4885TSHR 4198/4885SMN1; SMN2 2666/4885
US-20140221330-A1 NDM INHIBITOR MGAM, NQO1, NQO2 ALDH1A1 342/4885TSHR 4034/4885SMN1; SMN2 2525/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA ALDH1A1 461/4885TSHR 4147/4885SMN1; SMN2 2687/4885

“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.