SCHEMBL4441015

SCHEMBL4441015

COc1cc(CC(=O)O)cc(Oc2cccc(-c3ccc(OC(F)(F)F)cc3)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.54
FFAR4 Q5NUL3 3/20 0.54
THRA P10827 3/20 0.52
THRB P10828 3/20 0.52
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
RXRG P48443 1/20 0.51
SLC13A5 Q86YT5 2/20 0.47
PPARD Q03181 1/20 0.44
MME P08473 1/20 0.44
PTGER4 P35408 1/20 0.43
ABL1 P00519 1/20 0.43
ABCB1 P08183 1/20 0.43
BCR P11274 1/20 0.43
GRIN2B Q13224 1/20 0.43
MAPK14 Q16539 1/20 0.43

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
SCHEMBL4435008 0.94 THRA (0.55) FFAR1FFAR4THRATHRBRXRA
SCHEMBL4435032 0.90 FFAR1 (0.61) FFAR1FFAR4THRATHRBRXRA
SCHEMBL5126507 0.89 RXRA (0.53) FFAR1FFAR4THRATHRBRXRA
SCHEMBL5122441 0.89 FFAR4 (0.52) FFAR1FFAR4THRATHRBRXRA
SCHEMBL4429928 0.89 THRA (0.55) FFAR1FFAR4THRATHRBRXRA
SCHEMBL5057534 0.88 RXRA (0.61) FFAR1FFAR4THRATHRBRXRA
SCHEMBL5129224 0.88 FFAR4 (0.50) FFAR1FFAR4THRATHRBRXRA
SCHEMBL4429912 0.86 FFAR1 (0.55) FFAR1FFAR4THRATHRBRXRA
SCHEMBL4435667 0.84 RXRA (0.59) FFAR1FFAR4THRATHRBRXRA
SCHEMBL4435373 0.84 FFAR1 (0.61) FFAR1FFAR4THRATHRBRXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121591-A2 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2009-11-25 EP disclosed
WO-2008109697-A2 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2008-09-12 WO disclosed
US-20080221127-A1 peroxisome proliferator-activated receptor agonists; congestive heart failure, atherosclerosis, arteriosclerosis, obesity, hyperlipidemia, hypoalphalipoproteinemia, Syndrome X, diabetes, insulin resistance PLEXXIKON INC 2008-09-11 US disclosed
US-20080221127-A1 peroxisome proliferator-activated receptor agonists; congestive heart failure, atherosclerosis, arteriosclerosis, obesity, hyperlipidemia, hypoalphalipoproteinemia, Syndrome X, diabetes, insulin resistance PLEXXIKON INC 2008-09-11 US disclosed
US-20080221127-A1 peroxisome proliferator-activated receptor agonists; congestive heart failure, atherosclerosis, arteriosclerosis, obesity, hyperlipidemia, hypoalphalipoproteinemia, Syndrome X, diabetes, insulin resistance PLEXXIKON INC 2008-09-11 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 (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-20080221127-A1 peroxisome proliferator-activated receptor agonists; congestive heart failure, atherosclerosis, arteriosclerosis, obesity, hyperlipidemia, hypoalphalipoproteinemia, Syndrome X, diabetes, insulin resistance PPARA, PPARG, PPARD FFAR1 30/4885FFAR4 42/4885THRA 126/4885

“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.