SCHEMBL5333023

SCHEMBL5333023

O=C(OCc1ccccc1)c1ccc(O)c(C(=O)OCc2ccccc2)c1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.69
LMNA P02545 3/20 0.66
KMT2A Q03164 3/20 0.62
SLC6A2 P23975 1/20 0.62
SLC6A3 Q01959 1/20 0.62
EGFR P00533 1/20 0.57
ALDH1A1 P00352 3/20 0.57
RAB9A P51151 3/20 0.57
NPC1 O15118 2/20 0.57
MAPT P10636 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HSP90AA1 P07900 1/20 0.55
HPGD P15428 1/20 0.54
MEN1 O00255 1/20 0.53
POLB P06746 1/20 0.51
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50

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
SCHEMBL9128273 0.92 LMNA (0.64) TDP1LMNAKMT2ASLC6A2SLC6A3
SCHEMBL14059325 0.91 TDP1 (0.61) TDP1LMNAKMT2ASLC6A2SLC6A3
SCHEMBL537056 0.87 LMNA (0.70) TDP1LMNAKMT2ASLC6A2SLC6A3
SCHEMBL1655944 0.87 TDP1 (0.73) TDP1LMNAKMT2ASLC6A2SLC6A3
SCHEMBL2580214 0.87 TDP1 (0.66) TDP1LMNAKMT2ASLC6A2SLC6A3
SCHEMBL15341181 0.85 TDP1 (0.74) TDP1LMNAKMT2ASLC6A2SLC6A3
SCHEMBL26451268 0.84 TDP1 (0.66) TDP1LMNAKMT2ASLC6A2SLC6A3
SCHEMBL23812446 0.83 TDP1 (0.60) TDP1LMNAKMT2ASLC6A2SLC6A3
SCHEMBL8059715 0.83 LMNA (0.64) TDP1LMNAKMT2ASLC6A2SLC6A3
SCHEMBL6832242 0.83 TDP1 (0.67) TDP1LMNAKMT2ASLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7214712-B2 Isophthalic acid derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-05-08 US disclosed
US-6995151-B2 Isophthalic acid derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2006-02-07 US disclosed
US-20060025396-A1 Isophthalic acid derivatives as matrix metalloproteinase inhibitors BARVIAN NICOLE C 2006-02-02 US disclosed
EP-1362028-A2 ISOPHTHALIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-11-19 EP disclosed
US-20020156061-A1 Isophthalic acid derivatives as matrix metalloproteinase inhibitors BARVIAN NICOLE CHANTEL (US) 2002-10-24 US disclosed
WO-2002064547-A2 ISOPHTHALIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO disclosed
US-5468897-A Bi-aromatic esters, a process for their preparation and their use in human or veterinary medicine and in cosmetic compositions CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1995-11-21 US disclosed
US-5332856-A Treatment of a dermatologic, rheumatismal, respiratory or ophthalmologic ailment CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1994-07-26 US disclosed
US-5200550-A Administering for dermatologic, rheumatismal, respiratory or ophthalomologic disorders CENTRE INTERNATIONAL DE RECHERCES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1993-04-06 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-20060025396-A1 Isophthalic acid derivatives as matrix metalloproteinase inhibitors MMP13, MMP11, MMP3 TDP1 4305/4885LMNA 3585/4885KMT2A 3382/4885
US-20020156061-A1 Isophthalic acid derivatives as matrix metalloproteinase inhibitors MMP13, MMP1, MMP11 TDP1 2818/4885LMNA 1913/4885KMT2A 2496/4885

“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.