SCHEMBL4495664

SCHEMBL4495664

COc1ccc(C(=O)CC(=O)O)cc1F

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.68
LMNA P02545 1/20 0.68
MAPK1 P28482 1/20 0.68
RAB9A P51151 1/20 0.68
TAS1R3 Q7RTX0 1/20 0.55
TAS1R1 Q7RTX1 1/20 0.55
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPT P10636 2/20 0.54
ACHE P22303 1/20 0.51
HRH3 Q9Y5N1 2/20 0.48
TDP1 Q9NUW8 1/20 0.47
KCNQ3 O43525 1/20 0.47
KCNQ2 O43526 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ATM Q13315 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46

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
SCHEMBL4380651 0.88 HTT (0.64) HTTLMNAMAPK1RAB9ATAS1R3
SCHEMBL16376271 0.87 HTT (0.63) HTTLMNAMAPK1RAB9ATAS1R3
SCHEMBL15174092 0.87 HTT (0.63) HTTLMNAMAPK1RAB9ATAS1R3
SCHEMBL346725 0.86 HTT (0.66) HTTLMNAMAPK1RAB9ATAS1R3
SCHEMBL4438295 0.85 CA12 (0.65) MAPK1RAB9AMEN1KMT2AALDH1A1
SCHEMBL30629388 0.85 CA12 (0.65) MAPK1RAB9AMEN1KMT2AALDH1A1
SCHEMBL2845183 0.83 HTT (0.67) HTTLMNAMAPK1RAB9ATAS1R3
SCHEMBL6331262 0.83 HTT (0.67) HTTLMNAMAPK1RAB9ATAS1R3
SCHEMBL2848243 0.83 HTT (0.67) HTTLMNAMAPK1RAB9ATAS1R3
SCHEMBL5685418 0.83 HTT (0.58) HTTLMNAMAPK1RAB9ATAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7632845-B2 2-(p-oxyphenyl)-6-oxyquinolines, e.g., 2-(3-Fluoro-4-hydroxyphenyl)-4-phenylquinolin-6-ol; inflammatory bowel disease; Crohn's disease; anticarcinogenic agents; anticholesterol agents; antilipemic agents; cardiovascular diorders; osteoporosis; A lzheimer's disease; fertility; antiarthritic agents WYETH (US) 2009-12-15 US disclosed
US-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 US disclosed
US-20060217399-A1 Phenyl quinolines and their use as estrogenic agents WYETH (US) 2006-09-28 US disclosed
US-7084276-B2 Phenyl quinolines and their use as estrogenic agents WYETH (US) 2006-08-01 US disclosed
EP-0885215-B1 NOVEL BENZO-1,3-DIOXOLYL- AND BENZOFURANYL SUBSTITUTED PYRROLIDINE DERIVATIVES AS ENDOTHELIN ANTAGONISTS ABBOTT LAB (US) 2006-04-19 EP disclosed
EP-1628961-A1 PHENYL QUINOLINES AND THEIR USE AS ESTROGEN RECEPTOR MODULATORS Wyeth (US) 2006-03-01 EP disclosed
EP-1609790-A2 Benzo-1,3-dioxolyl- and benzofuranyl substituted pyrrolidine derivatives as endothelin antagonists Abbott Laboratories (US) 2005-12-28 EP disclosed
US-20050009784-A1 Phenyl quinolines and their use as estrogenic agents WYETH 2005-01-13 US disclosed
WO-2004103973-A1 PHENYL QUINOLINES AND THEIR USE AS ESTROGEN RECEPTOR MODULATORS WYETH (US) 2004-12-02 WO disclosed
WO-2002017912-A1 ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 2002-03-07 WO disclosed
US-6162927-A Endothelin antagonists ABBOTT LABORATORIES (US) 2000-12-19 US disclosed
EP-1003740-A2 PYRROLIDINE-3-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGOISTS Abbott Laboratories (US) 2000-05-31 EP disclosed
WO-1999006397-A2 PYRROLIDINE-3-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1999-02-11 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-20050009784-A1 Phenyl quinolines and their use as estrogenic agents ESR1, GPER1, ESR2 HTT 3857/4885LMNA 3392/4885MAPK1 684/4885
US-20060217399-A1 Phenyl quinolines and their use as estrogenic agents ESR1, GPER1, ESR2 HTT 3857/4885LMNA 3392/4885MAPK1 684/4885

“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.