SCHEMBL4480387

SCHEMBL4480387

COc1cc(C#N)c2nc(-c3ccc(OC)c(F)c3)cc(O)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.45
CYP11B2 P19099 3/20 0.45
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
ALDH1A1 P00352 5/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
XDH P47989 1/20 0.41
KDM4E B2RXH2 4/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL4479146 0.88 CYP11B1 (0.46) CYP11B1CYP11B2ESR2ALDH1A1NPC1
SCHEMBL4479136 0.87 CYP11B2 (0.45) CYP11B1CYP11B2ALDH1A1NPC1RAB9A
SCHEMBL4492030 0.85 CYP1A1 (0.40) CYP11B1CYP11B2ALDH1A1NPC1RAB9A
SCHEMBL4483817 0.84 NPC1 (0.44) ESR1ESR2ALDH1A1NPC1RAB9A
SCHEMBL4490844 0.83 NPC1 (0.43) ESR1ESR2ALDH1A1NPC1RAB9A
SCHEMBL4481278 0.80 CYP11B2 (0.45) CYP11B1CYP11B2ESR1ESR2ALDH1A1
SCHEMBL4480750 0.77 KDM4E (0.53) ESR1ESR2ALDH1A1NPC1RAB9A
SCHEMBL4485744 0.76 ESR1 (0.55) CYP11B1CYP11B2ESR1ESR2ALDH1A1
SCHEMBL4474682 0.74 NPC1 (0.48) ESR1ESR2ALDH1A1NPC1RAB9A
SCHEMBL4480430 0.73 CYP1A1 (0.40) CYP11B1CYP11B2ALDH1A1NPC1RAB9A

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 6 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-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-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-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
US-20050009784-A1 Phenyl quinolines and their use as estrogenic agents WYETH 2005-01-13 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-20050009784-A1 Phenyl quinolines and their use as estrogenic agents ESR1, GPER1, ESR2 CYP11B1 120/4885CYP11B2 147/4885ESR1 1/4885
US-20060217399-A1 Phenyl quinolines and their use as estrogenic agents ESR1, GPER1, ESR2 CYP11B1 120/4885CYP11B2 147/4885ESR1 1/4885

“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.