SCHEMBL4492769

SCHEMBL4492769

COc1ccc2nc(-c3cc(F)c(OC)c(F)c3)cc(O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PLA2G2A P14555 5/20 0.47
ALDH1A1 P00352 4/20 0.42
APP P05067 1/20 0.42
ESR1 P03372 4/20 0.41
ESR2 Q92731 4/20 0.41
DHODH Q02127 1/20 0.41
AURKA O14965 1/20 0.40
CDK1 P06493 1/20 0.40
CDK4 P11802 1/20 0.40
CDK2 P24941 1/20 0.40
AKT1 P31749 1/20 0.40
HPGD P15428 3/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL4480750 0.85 KDM4E (0.53) KDM4ESMN1; SMN2MEN1KMT2APLA2G2A
SCHEMBL4499187 0.84 ESR1 (0.53) KDM4ESMN1; SMN2MEN1KMT2APLA2G2A
SCHEMBL4601819 0.84 KDM4E (0.67) KDM4ESMN1; SMN2MEN1KMT2APLA2G2A
SCHEMBL4480591 0.83 PLA2G2A (0.64) KDM4ESMN1; SMN2MEN1KMT2APLA2G2A
SCHEMBL14611089 0.82 KDM4E (0.47) KDM4ESMN1; SMN2MEN1KMT2APLA2G2A
SCHEMBL10610678 0.82 KDM4E (0.71) KDM4ESMN1; SMN2MEN1KMT2APLA2G2A
SCHEMBL15998647 0.81 KDM4E (0.54) KDM4ESMN1; SMN2MEN1KMT2APLA2G2A
SCHEMBL6104751 0.74 KDM4E (0.50) KDM4ESMN1; SMN2MEN1KMT2APLA2G2A
SCHEMBL12732313 0.73 KDM4E (0.53) KDM4ESMN1; SMN2MEN1KMT2APLA2G2A
SCHEMBL743975 0.72 KDM4E (0.72) KDM4ESMN1; SMN2MEN1KMT2APLA2G2A

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 KDM4E 638/4885SMN1; SMN2 4647/4885MEN1 1974/4885
US-20060217399-A1 Phenyl quinolines and their use as estrogenic agents ESR1, GPER1, ESR2 KDM4E 638/4885SMN1; SMN2 4647/4885MEN1 1974/4885

“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.