SCHEMBL4759196

SCHEMBL4759196

O=C(O)Cc1ccc(OCc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.77
FFAR4 Q5NUL3 1/20 0.77
NR4A2 P43354 2/20 0.74
MAOB P27338 7/20 0.68
PDGFRA P16234 1/20 0.63
S1PR1 P21453 1/20 0.63
S1PR5 Q9H228 1/20 0.63
MRGPRX4 Q96LA9 2/20 0.62
MAPT P10636 2/20 0.60
HTT P42858 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
PTGDR2 Q9Y5Y4 1/20 0.60
POLB P06746 1/20 0.58
RXRA P19793 1/20 0.58
RXRB P28702 1/20 0.58
RXRG P48443 1/20 0.58
PPARG P37231 2/20 0.56
PPARD Q03181 2/20 0.56
PPARA Q07869 2/20 0.56

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
SCHEMBL13460803 0.89 NR4A2 (0.66) FFAR1FFAR4NR4A2MAOBRXRA
SCHEMBL6839182 0.88 MAOB (0.74) FFAR1FFAR4NR4A2MAOBPDGFRA
SCHEMBL14539208 0.85 PTPRC (0.64) FFAR1FFAR4NR4A2MRGPRX4RXRA
SCHEMBL14014028 0.85 NR4A2 (1.00) FFAR1FFAR4NR4A2MAOBPDGFRA
SCHEMBL3498978 0.84 MAOB (0.67) FFAR1MAOBMRGPRX4PTGDR2RXRA
SCHEMBL5669711 0.82 MAOB (0.74) FFAR1FFAR4NR4A2MAOBPDGFRA
Phenylacetic Acid SCHEMBL1807174 0.82 MEN1 (0.66) MAPTHTTRXRARXRBRXRG
SCHEMBL378581 0.82 MEN1 (0.65) FFAR1FFAR4NR4A2MAPTHTT
SCHEMBL29935522 0.82 MEN1 (0.65) FFAR1FFAR4NR4A2MAPTHTT
SCHEMBL3575327 0.82 PPARD (0.61) FFAR1FFAR4NR4A2MAOBMRGPRX4

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-7335655-B2 8-heteroaryl xanthine adenosine A2B receptor antagonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2008-02-26 US disclosed
US-7205403-B2 8-Heteroaryl xanthine adenosine A2B receptor antagonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2007-04-17 US disclosed
US-20060142309-A1 8-Heteroaryl xanthine adenosine A2B receptor antagonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2006-06-29 US disclosed
EP-1469856-A4 8-HETEROARYL XANTHINE ADENOSINE A SB 2B /SB RECEPTOR ANTAGONISTS KING PHARMACEUTICALS RES & DEV (US) 2005-06-22 EP disclosed
EP-1469856-A2 8-HETEROARYL XANTHINE ADENOSINE A SB 2B /SB RECEPTOR ANTAGONISTS King Pharmaceuticals Research and Development Inc. (US) 2004-10-27 EP disclosed
US-20030207879-A1 8-Heteroaryl xanthine adenosine A2B receptor antagonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2003-11-06 US disclosed
WO-2003063800-A2 8-HETEROARYL XANTHINE ADENOSINE A2B RECEPTOR ANTAGONISTS KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2003-08-07 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-20030207879-A1 8-Heteroaryl xanthine adenosine A2B receptor antagonists ADORA2B, ADORA2A, ADORA1 FFAR1 84/4885FFAR4 258/4885NR4A2 546/4885
US-20060142309-A1 8-Heteroaryl xanthine adenosine A2B receptor antagonists ADORA2B, ADORA2A, ADORA1 FFAR1 161/4885FFAR4 396/4885NR4A2 694/4885

“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.