SCHEMBL4490844

SCHEMBL4490844

COc1cc(Cl)c2nc(-c3ccc(OC)c(F)c3)cc(O)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.43
ALDH1A1 P00352 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
CXCL12 P48061 1/20 0.39
PTGES O14684 2/20 0.39
PTGS2 P35354 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL4483817 0.87 NPC1 (0.44) NPC1ALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL4482483 0.87 NPC1 (0.44) NPC1ALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL4480387 0.83 CYP11B1 (0.45) NPC1ALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL4481278 0.83 CYP11B2 (0.45) NPC1ALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL4491173 0.80 ALDH1A1 (0.44) NPC1ALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL4492030 0.80 CYP1A1 (0.40) NPC1ALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL4480750 0.80 KDM4E (0.53) NPC1ALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL4474682 0.77 NPC1 (0.48) NPC1ALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL4479136 0.76 CYP11B2 (0.45) NPC1ALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL4475462 0.75 KDM4E (0.53) NPC1ALDH1A1RAB9ASMN1; SMN2MEN1

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-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-1628961-A1 PHENYL QUINOLINES AND THEIR USE AS ESTROGEN RECEPTOR MODULATORS Wyeth (US) 2006-03-01 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

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 NPC1 1622/4885ALDH1A1 904/4885RAB9A 2360/4885
US-20060217399-A1 Phenyl quinolines and their use as estrogenic agents ESR1, GPER1, ESR2 NPC1 1622/4885ALDH1A1 904/4885RAB9A 2360/4885

“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.