SCHEMBL6483375

SCHEMBL6483375

O=C1CC(OC(=O)OCCc2ccccc2)C(=O)N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP12 P39900 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
HCAR2 Q8TDS4 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
NAAA Q02083 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL6168148 1.00 MMP1 (0.42) MMP1MMP2MMP9MMP12TDP1
SCHEMBL148443 0.86 GPBAR1 (0.46) TDP1BRD4CREBBPNPC1RAB9A
SCHEMBL5091923 0.86 TDP1 (0.45) TDP1ESR1ESR2NPC1RAB9A
SCHEMBL4556983 0.86 TDP1 (0.45) TDP1ESR1ESR2NPC1RAB9A
SCHEMBL1949591 0.79 LMNA (0.41) NAAANPC1
SCHEMBL1883113 0.78 CES2 (0.41) TDP1RAB9AALDH1A1TSHRMAPK1
SCHEMBL1280223 0.77 LMNA (0.40) NAAANPC1
SCHEMBL1727857 0.77 GLA (0.32) NPC1GLASMN1; SMN2
SCHEMBL8418687 0.76 DDB1 (0.48) TDP1RAB9AALDH1A1SMN1; SMN2DDB1
SCHEMBL5816927 0.76 POLB (0.35) NPC1SMN1; SMN2DDB1CRBN

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6924392-B2 Ortho, meta-substituted bisaryl compounds, processes for their preparation, their use as medicaments, and pharmaceutical preparations comprising them AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-08-02 US disclosed
US-20030225099-A1 Ortho, meta-substituted bisaryl compounds, processes for their preparation, their use as medicaments, and pharmaceutical preparations comprising them AVENTIS PHARMA DEUTSCHLAND GMBH 2003-12-04 US disclosed
US-6605625-B2 Antiarrhythmia agents AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-08-12 US disclosed
US-20030013719-A1 Ortho, meta-substituted bisaryl compounds, processes for their preparation, their use as medicaments, and pharmaceutical preparations comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-01-16 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 (2 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-20030225099-A1 Ortho, meta-substituted bisaryl compounds, processes for their preparation, their use as medicaments, and pharmaceutical preparations comprising them PON1, CYP3A43, KCNH1 MMP1 1371/4885MMP2 1794/4885MMP9 2238/4885
US-20030013719-A1 Ortho, meta-substituted bisaryl compounds, processes for their preparation, their use as medicaments, and pharmaceutical preparations comprising them PON1, CYP3A43, KCNH1 MMP1 1371/4885MMP2 1794/4885MMP9 2238/4885

“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.