SCHEMBL5666340

SCHEMBL5666340

CC(=O)OCC1C=C(c2cccc(Br)c2)C(=O)O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.39
POLB P06746 1/20 0.37
RET P07949 1/20 0.35
PRKX P51817 1/20 0.35
TAOK1 Q7L7X3 1/20 0.35
ALOX5 P09917 3/20 0.35
CACNA1F O60840 1/20 0.35
ABCB1 P08183 1/20 0.35
CACNA1D Q01668 1/20 0.35
CACNA1S Q13698 1/20 0.35
CACNA1C Q13936 1/20 0.35
ALDH1A1 P00352 4/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GAA P10253 1/20 0.33
PTGES O14684 1/20 0.32

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
SCHEMBL5668459 0.85 NLRP3 (0.43) NLRP3ALDH1A1
SCHEMBL5653660 0.84 SMN1; SMN2 (0.42) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL5655350 0.84 TGM2 (0.34) ALOX5CACNA1FABCB1CACNA1DCACNA1S
SCHEMBL5654672 0.83 ALDH1A1 (0.32) NLRP3ALOX5CACNA1FABCB1CACNA1D
SCHEMBL14366922 0.82 TDP1 (0.32) ALOX5CACNA1FABCB1CACNA1DCACNA1S
SCHEMBL5655594 0.81 ALDH1A1 (0.38) NLRP3ALDH1A1MEN1KDM4EMAPT
SCHEMBL5653859 0.81 L3MBTL1 (0.38) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL5655563 0.81 CYP2D6 (0.40) POLBALOX5CACNA1FABCB1CACNA1D
SCHEMBL5652657 0.80 CSNK2A2 (0.37) POLBALOX5CACNA1FABCB1CACNA1D
SCHEMBL5655473 0.80 GABRP (0.35) ALDH1A1KMT2AMEN1MAPTNPC1

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-20070259948-A1 Compounds with antifungal properties and process thereof FDC LIMITED (IN) 2007-11-08 US disclosed
US-20070259948-A1 Compounds with antifungal properties and process thereof FDC LIMITED (IN) 2007-11-08 US disclosed
US-20070259948-A1 Compounds with antifungal properties and process thereof FDC LIMITED (IN) 2007-11-08 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 (1 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-20070259948-A1 Compounds with antifungal properties and process thereof ADH5, GK, AKR1C3 NLRP3 3404/4885POLB 2010/4885RET 4676/4885

“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.