SCHEMBL5992755

SCHEMBL5992755

CCOC(=O)C(Cc1ccc(O)cc1)Sc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.45
BACE1 P56817 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
EPHX2 P34913 1/20 0.41
PPARG P37231 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
TSHR P16473 1/20 0.40
PIN1 Q13526 1/20 0.40
MDM4 O15151 1/20 0.40
MDM2 Q00987 1/20 0.40
GAA P10253 1/20 0.40
MIF P14174 1/20 0.40
SLC7A5 Q01650 1/20 0.40

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
SCHEMBL6933947 0.87 ESR1 (0.52) ALDH1A1ESR1ESR2TSHRMDM4
SCHEMBL6700676 0.81 ESR1 (0.46) MMP8BACE1ESR1ESR2CA12
SCHEMBL3931551 0.79 HTT (0.49) ALDH1A1ESR1ESR2CA12CA1
SCHEMBL6821028 0.79 PPARG (0.47) ALDH1A1PPARGLMNAL3MBTL1
SCHEMBL5321866 0.78 EPHX2 (0.58) MMP8BACE1ESR1ESR2EPHX2
SCHEMBL5880383 0.77 MMP8 (0.52) MMP8ALDH1A1EPHX2PPARGPIN1
SCHEMBL5991960 0.76 PPARA (0.45) PPARG
SCHEMBL728386 0.74 KMT2A (0.63) ALDH1A1TSHRPIN1LMNAL3MBTL1
SCHEMBL17785156 0.74 PIN1 (0.42) MMP8ALDH1A1PPARGPIN1MEN1
SCHEMBL5802386 0.74 MMP8 (0.56) MMP8BACE1ALDH1A1ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060173204-A1 New 3-aryl propionic acid derivatives and analogs ANDERSSON KJELL 2006-08-03 US disclosed
US-20040229949-A1 New 3-aryl propionic acid derivatives and analogs ANDERSSON KJELL (SE) 2004-11-18 US disclosed
US-6630600-B1 Intermediate for their manufacture, pharmaceutical preparations containing them and the use of the compounds in clinical conditions associated with insulin resistance. ASTRAZENECA AB (SE) 2003-10-07 US disclosed
EP-1084102-B1 NEW 3-ARYL PROPIONIC ACID DERIVATIVES AND ANALOGS ASTRAZENECA AB (SE) 2003-10-01 EP disclosed
EP-1084102-A1 NEW 3-ARYL PROPIONIC ACID DERIVATIVES AND ANALOGS AstraZeneca AB (SE) 2001-03-21 EP disclosed
WO-1999062871-A1 NEW 3-ARYL PROPIONIC ACID DERIVATIVES AND ANALOGS ASTRAZENECA AB (SE) 1999-12-09 WO 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-20040229949-A1 New 3-aryl propionic acid derivatives and analogs GPR119, INSR, IRS1 MMP8 4379/4885BACE1 2607/4885ALDH1A1 465/4885
US-20060173204-A1 New 3-aryl propionic acid derivatives and analogs GPR119, INSR, IRS1 MMP8 4379/4885BACE1 2607/4885ALDH1A1 465/4885

“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.