SCHEMBL2003036

SCHEMBL2003036

CC[C@@H](C)c1onc(-c2c(Cl)cccc2Cl)c1CO

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.56
PPARD Q03181 2/20 0.45
LIFR P42702 1/20 0.45

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
SCHEMBL2002899 1.00 NR1H4 (0.56) NR1H4PPARDLIFR
SCHEMBL12572015 1.00 NR1H4 (0.56) NR1H4PPARDLIFR
SCHEMBL1096077 0.87 NR1H4 (0.70) NR1H4PPARDLIFR
SCHEMBL18724953 0.82 NR1H4 (0.49) NR1H4
SCHEMBL12168743 0.77 NR1H4 (0.67) NR1H4PPARDLIFR
SCHEMBL3451972 0.77 ALDH1A1 (0.57) NR1H4
SCHEMBL3638644 0.75 GHSR (0.50) NR1H4
SCHEMBL23773958 0.75 NR1H4 (0.67) NR1H4PPARDLIFR
SCHEMBL2001485 0.75 NR1H4 (0.61) NR1H4PPARDLIFR
SCHEMBL1179026 0.74 NR1H4 (0.67) NR1H4PPARDLIFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960552-B2 6-[4-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methyl}oxy)phenyl]-2-quinolinecarboxylic acid and the potassium salt; antidiabetic agents; improved glucose tolerance and decreased insulin resistance GLAXOSMITHKLINE LLC (US) 2011-06-14 US disclosed
US-20100120775-A1 Farnesoid X Receptor Agonists SMITHKLINE BEECHAM CORPORATION (US) 2010-05-13 US disclosed
US-20080096921-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-04-24 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-20100120775-A1 Farnesoid X Receptor Agonists NR1H4, NR1H3, NR1H2 NR1H4 1/4885PPARD 114/4885LIFR 2399/4885
US-20080096921-A1 FARNESOID X RECEPTOR AGONISTS NR1H4, NR1H3, NR1H2 NR1H4 1/4885PPARD 114/4885LIFR 2399/4885

“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.