SCHEMBL5655563

SCHEMBL5655563

O=C1OC(COC(=O)c2ccc[nH]2)C=C1c1cccc(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.40
CYP1B1 Q16678 2/20 0.40
MMP1 P03956 4/20 0.38
MMP2 P08253 3/20 0.38
MMP12 P39900 3/20 0.38
MMP9 P14780 2/20 0.38
RAB9A P51151 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
NPC1 O15118 2/20 0.37
GSK3A P49840 3/20 0.36
RPS6KA3 P51812 3/20 0.36
MAPK14 Q16539 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CACNA1F O60840 1/20 0.33
ABCB1 P08183 1/20 0.33
CACNA1D Q01668 1/20 0.33
CACNA1S Q13698 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
SCHEMBL5653895 0.87 CYP1A1 (0.42) CYP2D6CYP1B1MMP1MMP2MMP12
SCHEMBL5653660 0.82 SMN1; SMN2 (0.42) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL5666340 0.81 NLRP3 (0.39) RAB9AMEN1KMT2ANPC1POLB
SCHEMBL5653859 0.79 L3MBTL1 (0.38) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL5654738 0.78 ELANE (0.36) MEN1KMT2ANPC1SMN1; SMN2L3MBTL1
SCHEMBL5652657 0.78 CSNK2A2 (0.37) MEN1KMT2APOLBCACNA1FABCB1
SCHEMBL5655350 0.78 TGM2 (0.34) RAB9AMEN1KMT2ANPC1CACNA1F
SCHEMBL5654672 0.77 ALDH1A1 (0.32) MMP1MMP2MMP12MMP9RAB9A
SCHEMBL14366922 0.76 TDP1 (0.32) MMP1MMP2MMP12MMP9MEN1
SCHEMBL5655473 0.74 GABRP (0.35) RAB9AMEN1KMT2ANPC1SMN1; SMN2

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 CYP2D6 110/4885CYP1B1 73/4885MMP1 2993/4885

“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.