SCHEMBL5653859

SCHEMBL5653859

O=C1OC(COC(=O)c2cccc(I)c2)C=C1c1cccc(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 2/20 0.34
ALDH1A1 P00352 2/20 0.34
RAB9A P51151 2/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
PTPN1 P18031 1/20 0.33
GAA P10253 1/20 0.32
NFKB1 P19838 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
SCHEMBL5653660 0.89 SMN1; SMN2 (0.42) L3MBTL1ATMTDP1MAPK1KDM4E
SCHEMBL5654947 0.87 L3MBTL1 (0.40) L3MBTL1KDM4ETSHRALDH1A1RAB9A
SCHEMBL5666340 0.81 NLRP3 (0.39) TDP1MAPK1KDM4ENPC1ALDH1A1
SCHEMBL5655350 0.80 TGM2 (0.34) TDP1KDM4ENPC1ALDH1A1RAB9A
SCHEMBL5655563 0.79 CYP2D6 (0.40) L3MBTL1TDP1KDM4ESMN1; SMN2NPC1
SCHEMBL5652657 0.78 CSNK2A2 (0.37) LMNAMEN1MAPTKMT2A
SCHEMBL5654672 0.77 ALDH1A1 (0.32) TDP1MAPK1KDM4ELMNASMN1; SMN2
SCHEMBL14366922 0.76 TDP1 (0.32) L3MBTL1ATMTDP1KDM4EALDH1A1
SCHEMBL5652924 0.76 MEN1 (0.42) L3MBTL1NPC1ALDH1A1RAB9AMEN1
SCHEMBL5655473 0.74 GABRP (0.35) TSHRSMN1; SMN2NPC1ALDH1A1RAB9A

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 L3MBTL1 3159/4885ATM 3706/4885TDP1 2518/4885

“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.