SCHEMBL6496148

SCHEMBL6496148

CCCOC(=O)C(OCCC)OCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.40
ALDH1A1 P00352 6/20 0.39
LMNA P02545 1/20 0.38
TSHR P16473 2/20 0.36
ESR1 P03372 1/20 0.36
CHRM1 P11229 1/20 0.36
SLC6A2 P23975 1/20 0.36
KDR P35968 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ATM Q13315 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 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
SCHEMBL15334284 0.82 ALDH1A1 (0.37) HCAR2ALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL3720214 0.81 ALDH1A1 (0.54) HCAR2ALDH1A1LMNATSHRESR1
SCHEMBL29282543 0.81 ALDH1A1 (0.48) HCAR2ALDH1A1LMNATSHRESR1
SCHEMBL11618533 0.80 ALDH1A1 (0.35) HCAR2ALDH1A1TDP1NAAA
SCHEMBL7567442 0.78 HCAR2 (0.39) HCAR2ALDH1A1LMNATSHRESR1
SCHEMBL3027521 0.78 HCAR2 (0.39) HCAR2ALDH1A1LMNATSHRESR1
SCHEMBL11620646 0.78 ALDH1A1 (0.39) ALDH1A1TSHRHDAC3HDAC1HDAC2
SCHEMBL15066484 0.78 ALDH1A1 (0.33) HCAR2ALDH1A1
SCHEMBL16826378 0.78 NAAA (0.55) HCAR2ALDH1A1LMNATSHRNAAA
SCHEMBL10487179 0.78 ALDH1A1 (0.37) HCAR2ALDH1A1LMNATSHRCHRM1

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-6867218-B2 Compounds, their preparation and use NOVO NORDISK A/S (DK) 2005-03-15 US disclosed
US-20030195200-A1 Compounds, their preparation and use VTVX HOLDINGS II LLC 2003-10-16 US disclosed
US-6555577-B1 For treatment and/or prevention of conditions mediated by the Peroxisome Proliferator-Activated Receptors (PPAR), such as diabetes and/or obesity; 3-(4-(3-Biphenyl-4-yl-but-2-enyloxy)-phenyl)-2-butoxy-propionic acid for example NOVO NORDISK A/S (DE) 2003-04-29 US disclosed
CN-1396903-A novel compounds, their preparation and use NOVO NORDISK AS (DK) 2003-02-12 CN disclosed
EP-1254101-A1 PROPIONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF DIABETES AND OBESITY Novo Nordisk A/S (DK) 2002-11-06 EP disclosed
WO-2001055085-A1 PROPIONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF DIABETES AND OBESITY NOVO NORDISK A/S (DK) 2001-08-02 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 (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-20030195200-A1 Compounds, their preparation and use PPARG, PPARA, PPARD HCAR2 411/4885ALDH1A1 257/4885LMNA 1185/4885

“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.