SCHEMBL4485744

SCHEMBL4485744

COc1ccc2nc(-c3ccc(OC)c(F)c3)cc(C#N)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.55
ESR2 Q92731 3/20 0.55
KDM4E B2RXH2 6/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CYP11B1 P15538 3/20 0.50
CYP11B2 P19099 3/20 0.50
ESRRB O95718 1/20 0.47
ESRRA P11474 1/20 0.47
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PLA2G2A P14555 1/20 0.43
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43

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
SCHEMBL4488225 0.85 ESR1 (0.59) ESR1ESR2KDM4ESMN1; SMN2MEN1
SCHEMBL4482828 0.83 KDM4E (0.54) ESR1ESR2KDM4ESMN1; SMN2MEN1
SCHEMBL4475462 0.82 KDM4E (0.53) ESR1ESR2KDM4ESMN1; SMN2MEN1
SCHEMBL4480750 0.82 KDM4E (0.53) ESR1ESR2KDM4ESMN1; SMN2MEN1
SCHEMBL4481278 0.81 CYP11B2 (0.45) ESR1ESR2KDM4ESMN1; SMN2MEN1
SCHEMBL3958458 0.80 ESR1 (0.52) ESR1ESR2CYP11B1CYP11B2PDGFRB
SCHEMBL4601004 0.79 KDM4E (0.67) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL4479146 0.77 CYP11B1 (0.46) ESR2KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL4480387 0.76 CYP11B1 (0.45) ESR1ESR2KDM4ESMN1; SMN2MEN1
SCHEMBL4479136 0.76 CYP11B2 (0.45) KDM4ESMN1; SMN2MEN1KMT2ACYP11B1

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 ESR1 1/4885ESR2 3/4885KDM4E 638/4885
US-20060217399-A1 Phenyl quinolines and their use as estrogenic agents ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885KDM4E 638/4885

“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.