SCHEMBL3205167

SCHEMBL3205167

C=CCc1ccc2c(nnn2O)c1OC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.32
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
PTGDR Q13258 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL3205159 0.91 PLA2G2A (0.31) PLA2G2AKDM4EMEN1KMT2A
SCHEMBL3454178 0.73 GABRA1 (0.42) MAPTMAPK1KDM4EMEN1KMT2A
SCHEMBL1011868 0.67 MAPK1 (0.41) MAPTMAPK1KDM4EMEN1KMT2A
SCHEMBL985213 0.66 TSHR (0.44) KDM4EKMT2A
SCHEMBL2395983 0.66 GABRA1 (0.36) MAPTKDM4EMEN1KMT2A
SCHEMBL11068459 0.64 THRB (0.42) MAPTMAPK1PTGDRPTGDR2
SCHEMBL6510223 0.61 GABRA1 (0.36) MAPTKDM4EMEN1KMT2A
SCHEMBL861238 0.61 KDM4E (0.51) KDM4E
SCHEMBL3457708 0.61 CTNNB1 (0.52) MAPTMAPK1KDM4EMEN1KMT2A
SCHEMBL5921945 0.61 CTNNB1 (0.49) MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678782-B2 Bile-acid derived compounds for enhancing oral absorption and systemic bioavailability of drugs XENOPORT, INC. (US) 2010-03-16 US disclosed
US-20070015716-A1 Bile-acid derived compounds for enhancing oral absorption and systemic bioavailability of drugs XENOPORT, INC. 2007-01-18 US disclosed
US-7144877-B2 Bile-acid derived compounds for enhancing oral absorption and systemic bioavailability of drugs XENOPORT, INC. (US) 2006-12-05 US disclosed
EP-1358200-A4 BILE-ACID DERIVED COMPOUNDS FOR ENHANCING ORAL ABSORPTION AND SYSTEMIC BIOAVAILABILITY OF DRUGS XENOPORT INC (US) 2005-07-20 EP disclosed
EP-1358200-A2 BILE-ACID DERIVED COMPOUNDS FOR ENHANCING ORAL ABSORPTION AND SYSTEMIC BIOAVAILABILITY OF DRUGS Xenoport, Inc. (US) 2003-11-05 EP disclosed
US-20020099041-A1 Bile-acid derived compounds for enhancing oral absorption and systemic bioavailability of drugs XENOPORT, INC. 2002-07-25 US disclosed
WO-2002044324-A2 BILE-ACID DERIVED COMPOUNDS FOR ENHANCING ORAL ABSORPTION AND SYSTEMIC BIOAVAILABILITY OF DRUGS XENOPORT, INC. (US) 2002-06-06 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-20070015716-A1 Bile-acid derived compounds for enhancing oral absorption and systemic bioavailability of drugs SLC10A2, ABCB11, SLC10A1 PLA2G2A 441/4885MAPT 2118/4885MAPK1 4657/4885
US-20020099041-A1 Bile-acid derived compounds for enhancing oral absorption and systemic bioavailability of drugs SLC10A2, ABCB11, SLC10A1 PLA2G2A 441/4885MAPT 2118/4885MAPK1 4657/4885

“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.