SCHEMBL4486496

SCHEMBL4486496

COc1ccc(-c2ccc3cc(OC)ccc3n2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.70
NPC1 O15118 6/20 0.70
RAB9A P51151 6/20 0.70
ALDH1A1 P00352 5/20 0.70
SMN1; SMN2 Q16637 4/20 0.70
NFKB1 P19838 2/20 0.70
NFKB2 Q00653 2/20 0.70
RELA Q04206 2/20 0.70
MAOA P21397 1/20 0.60
MAOB P27338 1/20 0.60
CASP3 P42574 1/20 0.60
SENP7 Q9BQF6 1/20 0.60
NCF1 P14598 1/20 0.59
NQO1 P15559 1/20 0.56
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
MAPT P10636 3/20 0.51
PLA2G2A P14555 1/20 0.51
LMNA P02545 2/20 0.50
HPGD P15428 2/20 0.50

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
SCHEMBL14500755 0.92 NPC1 (0.59) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL30228591 0.90 NPC1 (0.58) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL5682765 0.90 KDM4E (0.66) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL30228475 0.90 KDM4E (0.66) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2162844 0.89 APP (0.57) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL28992132 0.88 PDGFRB (0.57) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL28247825 0.88 KDM4E (0.64) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL30228533 0.88 PDGFRB (0.57) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL483732 0.88 MAPT (0.61) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL26613511 0.87 KDM4E (0.72) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4017492-A1 MOLECULES THAT BIND TO TDP-43 FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS AND RELATED DISORDERS Biohaven Therapeutics Ltd. (US) 2022-06-29 EP 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-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
US-7056931-B2 2-substituted 1,2,3,4-tetrahydroquinolines and derivatives thereof, compositions and methods ELI LILLY AND COMPANY (US) 2006-06-06 US disclosed
EP-1395563-B1 2-SUBSTITUTED 1,2,3,4-TETRAHYDROQUINOLINES AND DERIVATIVES THEREOF, COMPOSITIONS AND METHODS LILLY CO ELI (US) 2006-03-29 EP disclosed
EP-1628961-A1 PHENYL QUINOLINES AND THEIR USE AS ESTROGEN RECEPTOR MODULATORS Wyeth (US) 2006-03-01 EP disclosed
US-6962928-B2 Tetrahydroquinoline derivatives for the inhibition of osteoporosis, estrogen dependent breast cancer, endometriosis and uterine fibrosis ELI LILLY AND COMPANY (US) 2005-11-08 US disclosed
EP-1401446-B1 TETRAHYDROQUINOLIN DERIVATIVES FOR THE INHIBITION OF DISEASES ASSOCIATED WITH ESTROGEN DEPRIVATION OR WITH AN ABERRANT PHYSIOLOGICAL RESPONSE TO ENDOGENOUS ESTROGEN LILLY CO ELI (US) 2005-02-09 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
US-20040215018-A1 2-substituted 1,2,3,4-tetrahydroquinolines and derivatives thereof, compositions and methods WALLACE OWEN BRENDAN (US) 2004-10-28 US disclosed
US-20040132770-A1 Tetrahydroquinolin derivatives for the inhibition of diseases associated with estrogen deprivation or with an aberrant physiological response to endogenous estrogen ELI LILLY AND COMPANY 2004-07-08 US disclosed
EP-1401446-A1 TETRAHYDROQUINOLIN DERIVATIVES FOR THE INHIBITION OF DISEASES ASSOCIATED WITH ESTROGEN DEPRIVATION OR WITH AN ABERRANT PHYSIOLOGICAL RESPONSE TO ENDOGENOUS ESTROGEN ELI LILLY AND COMPANY (US) 2004-03-31 EP disclosed
EP-1395563-A1 2-SUBSTITUTED 1,2,3,4-TETRAHYDROQUINOLINES AND DERIVATIVES THEREOF, COMPOSITIONS AND METHODS ELI LILLY AND COMPANY (US) 2004-03-10 EP disclosed
WO-2002094268-A1 TETRAHYDROQUINOLIN DERIVATIVES FOR THE INHIBITION OF DISEASES ASSOCIATED WITH ESTROGEN DEPRIVATION OR WITH AN ABERRANT PHYSIOLOGICAL RESPONSE TO ENDOGENOUS ESTROGEN ELI LILLY AND COMPANY (US) 2002-11-28 WO disclosed
WO-2002094788-A1 2-SUBSTITUTED 1,2,3,4-TETRAHYDROQUINOLINES AND DERIVATIVES THEREOF, COMPOSITIONS AND METHODS ELI LILLY AND COMPANY (US) 2002-11-28 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 (4 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-20040132770-A1 Tetrahydroquinolin derivatives for the inhibition of diseases associated with estrogen deprivation or with an aberrant physiological response to endogenous estrogen ESR2, ESR1, GPER1 KDM4E 448/4885NPC1 1803/4885RAB9A 1993/4885
US-20050009784-A1 Phenyl quinolines and their use as estrogenic agents ESR1, GPER1, ESR2 KDM4E 638/4885NPC1 1622/4885RAB9A 2360/4885
US-20040215018-A1 2-substituted 1,2,3,4-tetrahydroquinolines and derivatives thereof, compositions and methods CYP19A1, ESR2, NR5A1 KDM4E 346/4885NPC1 1277/4885RAB9A 3535/4885
US-20060217399-A1 Phenyl quinolines and their use as estrogenic agents ESR1, GPER1, ESR2 KDM4E 638/4885NPC1 1622/4885RAB9A 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.