SCHEMBL800484

SCHEMBL800484

CC(C)/C=C(\Cc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
TSHR P16473 1/20 0.49
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
AKR1B1 P15121 1/20 0.47
GRIK1 P39086 3/20 0.44
GRIA2 P42262 2/20 0.44
GRIA4 P48058 2/20 0.44
GRIK3 Q13003 2/20 0.44
GRIK5 Q16478 2/20 0.44
GRIA1 P42261 1/20 0.44
GRIK2 Q13002 1/20 0.44
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CTBP2 P56545 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL800118 0.87 CA2 (0.52) CYP3A4CYP2C9GRIK1GRIA2GRIA4
SCHEMBL800588 0.84 ALDH1A1 (0.47) CYP3A4CYP2C9TSHRGRIK1GRIA2
SCHEMBL800491 0.82 NAPRT (0.57) CYP3A4CYP2C9L3MBTL1CYP1A2
SCHEMBL9619650 0.82 ALDH1A1 (0.52) GRIK1ALDH1A1MAPK1L3MBTL1MEN1
SCHEMBL800077 0.82 HTT (0.54) CYP3A4ALDH1A1L3MBTL1CTBP2POLB
SCHEMBL800076 0.82 PLA2G10 (0.45) CYP3A4CYP2C9TSHRGRIK1GRIA2
SCHEMBL7923429 0.80 CYP3A4 (0.66) CYP3A4CYP2C9TSHRCES2CES1
SCHEMBL367454 0.80 CYP3A4 (0.66) CYP3A4CYP2C9TSHRCES2CES1
SCHEMBL265774 0.80 CYP3A4 (0.66) CYP3A4CYP2C9TSHRCES2CES1
SCHEMBL800058 0.80 CTBP2 (0.51) GRIK1GRIA2GRIA4GRIK3GRIK5

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
WO-2023069720-A1 COMPOUNDS THAT MEDIATE PROTEIN DEGRADATION AND METHODS OF USE THEREOF MONTE ROSA THERAPEUTICS, INC. (US) 2023-04-27 WO disclosed
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 CYP3A4 1281/4885CYP2C9 864/4885TSHR 4198/4885
US-20140221330-A1 NDM INHIBITOR MGAM, NQO1, NQO2 CYP3A4 1708/4885CYP2C9 1554/4885TSHR 4034/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA CYP3A4 1259/4885CYP2C9 847/4885TSHR 4147/4885

“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.