SCHEMBL4480502

SCHEMBL4480502

COc1ccc(-c2nc3ccc(OC)cc3c(Br)c2Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.52
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
LMNA P02545 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 3/20 0.45
AURKA O14965 1/20 0.44
AURKB Q96GD4 1/20 0.44
PLA2G2A P14555 1/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPK14 Q16539 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ADORA2A P29274 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTT P42858 1/20 0.42

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
SCHEMBL4491428 0.85 DHODH (0.42) DHODHKDM4EALDH1A1L3MBTL1MEN1
SCHEMBL4481851 0.83 DHODH (0.62) DHODHKDM4EALDH1A1NPSR1LMNA
SCHEMBL2427298 0.75 DHODH (0.41) DHODHKDM4EALDH1A1NPSR1LMNA
SCHEMBL3924341 0.75 ESR1 (0.53) DHODHMEN1KMT2A
SCHEMBL12285138 0.74 KDM4E (0.55) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL27918631 0.73 KDM4E (0.48) DHODHKDM4EALDH1A1NPSR1LMNA
SCHEMBL2867767 0.73 MAPK14 (0.69) KDM4EALDH1A1NPSR1LMNATDP1
SCHEMBL1289655 0.72 DHODH (0.59) DHODHKDM4EALDH1A1MAPTPLA2G2A
SCHEMBL4482092 0.72 PLA2G2A (0.60) KDM4EALDH1A1NPSR1LMNAMAPT
SCHEMBL29636809 0.72 KDM4E (0.65) DHODHKDM4EALDH1A1LMNAMAPT

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 DHODH 2202/4885KDM4E 638/4885ALDH1A1 904/4885
US-20060217399-A1 Phenyl quinolines and their use as estrogenic agents ESR1, GPER1, ESR2 DHODH 2202/4885KDM4E 638/4885ALDH1A1 904/4885

“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.