SCHEMBL4480430

SCHEMBL4480430

COc1cc(-c2ccc(C#N)cc2)c2nc(-c3ccc(OC)c(F)c3)cc(Cl)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
CYP11B1 P15538 3/20 0.40
CYP11B2 P19099 3/20 0.40
PIM1 P11309 1/20 0.39
NPC1 O15118 3/20 0.38
ALDH1A1 P00352 3/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SQOR Q9Y6N5 3/20 0.38
KDM1A O60341 3/20 0.37
KDM4E B2RXH2 3/20 0.37
KIT P10721 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
ACP1 P24666 1/20 0.36
PLAU P00749 1/20 0.36
PI4KB Q9UBF8 1/20 0.35

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
SCHEMBL4492030 0.88 CYP1A1 (0.40) CYP1A1CYP1B1CYP11B1CYP11B2NPC1
SCHEMBL4479136 0.85 CYP11B2 (0.45) CYP11B1CYP11B2NPC1ALDH1A1RAB9A
SCHEMBL4491173 0.81 ALDH1A1 (0.44) NPC1ALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL4481278 0.79 CYP11B2 (0.45) CYP11B1CYP11B2NPC1ALDH1A1RAB9A
SCHEMBL3929098 0.75 ESR1 (0.55) PIM1
SCHEMBL4482483 0.74 NPC1 (0.44) NPC1ALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL4475462 0.74 KDM4E (0.53) NPC1ALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL4490844 0.73 NPC1 (0.43) NPC1ALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL4480387 0.73 CYP11B1 (0.45) CYP11B1CYP11B2NPC1ALDH1A1RAB9A
SCHEMBL27638483 0.71 ESR1 (0.45) MAPT

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 8 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
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 CYP1A1 23/4885CYP1B1 62/4885CYP11B1 120/4885
US-20060217399-A1 Phenyl quinolines and their use as estrogenic agents ESR1, GPER1, ESR2 CYP1A1 23/4885CYP1B1 62/4885CYP11B1 120/4885

“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.