SCHEMBL3889569

SCHEMBL3889569

C=CCn1nc(-c2ccc(OC)cc2OC)c2cccc(C(F)(F)F)c21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.64
ESR2 Q92731 1/20 0.64
CRHR1 P34998 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 3/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2C19 P33261 3/20 0.36
CYP2D6 P10635 2/20 0.36
CYP1A1 P04798 1/20 0.36
CYP2E1 P05181 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP4B1 P13584 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP3A5 P20815 1/20 0.36
CYP2A7 P20853 1/20 0.36
CYP3A7 P24462 1/20 0.36
CYP2F1 P24903 1/20 0.36

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
SCHEMBL29817411 1.00 ESR1 (0.64) ESR1ESR2CRHR1MEN1KMT2A
SCHEMBL5501902 0.93 ESR1 (0.78) ESR1ESR2CRHR1MEN1KMT2A
SCHEMBL4030022 0.90 ESR1 (0.75) ESR1ESR2CRHR1PDE4BPDE4D
SCHEMBL4029130 0.87 ESR1 (0.46) ESR1ESR2CRHR1MEN1KMT2A
SCHEMBL4027158 0.85 ESR1 (0.45) ESR1ESR2CRHR1MEN1KMT2A
SCHEMBL4034557 0.85 ESR1 (0.44) ESR1ESR2CRHR1MEN1KMT2A
SCHEMBL4031240 0.84 ESR1 (0.58) ESR1ESR2TSHRALDH1A1MAPT
SCHEMBL4032697 0.83 ESR1 (0.43) ESR1ESR2CRHR1MEN1KMT2A
SCHEMBL4031100 0.83 ESR1 (0.43) ESR1ESR2CRHR1MEN1KMT2A
SCHEMBL1407773 0.83 ESR1 (0.45) ESR1ESR2CRHR1CYP1A2CYP3A4

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
US-7601847-B2 Via lithium bis(trimethylsilyl)amide, lithium dicyclohexylamide, or potassium bis(trimethylsilyl)amide base and alkylating agent; atherosclerosis, myocardial infarction, congestive heart failure, inflammatory bowel disease, arthritis, type II diabetes, multiple sclerosis and rheumatoid arthritis WYETH (US) 2009-10-13 US disclosed
US-7601847-B2 Via lithium bis(trimethylsilyl)amide, lithium dicyclohexylamide, or potassium bis(trimethylsilyl)amide base and alkylating agent; atherosclerosis, myocardial infarction, congestive heart failure, inflammatory bowel disease, arthritis, type II diabetes, multiple sclerosis and rheumatoid arthritis WYETH (US) 2009-10-13 US disclosed
US-7601847-B2 Via lithium bis(trimethylsilyl)amide, lithium dicyclohexylamide, or potassium bis(trimethylsilyl)amide base and alkylating agent; atherosclerosis, myocardial infarction, congestive heart failure, inflammatory bowel disease, arthritis, type II diabetes, multiple sclerosis and rheumatoid arthritis WYETH (US) 2009-10-13 US disclosed
US-7555415-B2 Methods for the design of estrogen receptor ligands WYETH (US) 2009-06-30 US disclosed
EP-1542976-B1 SUBSTITUTED 4-(INDAZOL-3-YL)PHENOLS AS ESTROGEN RECEPTOR (ER) LIGANDS AND THEIR USE IN THE TREATMENT OF INFLAMMATORY DISEASES WYETH CORP (US) 2009-02-04 EP disclosed
US-7304073-B2 Method of treating myocardial ischemia-reperfusion injury using NF-kB inhibitors WYETH (US) 2007-12-04 US disclosed
EP-1856151-A2 ESTROGEN RECEPTOR STRUCTURE Wyeth (US) 2007-11-21 EP disclosed
US-20070225349-A1 Substituted 4-(Indazol-3-yl)phenols WYETH (US) 2007-09-27 US disclosed
US-7241791-B2 Substituted 4-(indazol-3-yl)phenols WYETH (US) 2007-07-10 US disclosed
WO-2006078733-A2 ESTROGEN RECEPTOR STRUCTURE WYETH (US) 2006-07-27 WO disclosed
US-20060160836-A1 Estrogen receptor structure WYETH 2006-07-20 US disclosed
US-20060111421-A1 Method of treating or preventing myocardial ischemia-reperfusion injury using NF-kB inhibitors WYETH (US) 2006-05-25 US disclosed
US-20060111574-A1 Preparation and purification of 4-(indazol-3-yl) phenols WYETH (US) 2006-05-25 US disclosed
US-20050119276-A1 Methods of treating inflammatory bowel disease using NF-kB inhibitors WYETH (US) 2005-06-02 US disclosed
US-20050119324-A1 Methods of treating atherosclerosis using NF-kB inhibitors WYETH (US) 2005-06-02 US disclosed
US-20050113405-A1 Methods of treating rheumatoid arthritis using NF-kB inhibitors WYETH (US) 2005-05-26 US disclosed
WO-2005039583-A1 METHOD OF TREATING RHEUMATOID ARTHRITIS USING NF-kB INHIBITORS WYETH (US) 2005-05-06 WO disclosed
WO-2005039581-A1 USE OF ESTROGEN RECEPTOR LIGANDS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE WYETH (US) 2005-05-06 WO disclosed
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols WYETH (US) 2004-08-26 US 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 (8 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-20070225349-A1 Substituted 4-(Indazol-3-yl)phenols INSR, TNNI3, INSRR ESR1 1028/4885ESR2 621/4885CRHR1 2217/4885
US-20050113405-A1 Methods of treating rheumatoid arthritis using NF-kB inhibitors NFKBIA, IKBKB, IKBKG ESR1 14/4885ESR2 10/4885CRHR1 810/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 ESR1 2487/4885ESR2 605/4885CRHR1 2181/4885
US-20050119324-A1 Methods of treating atherosclerosis using NF-kB inhibitors NFKBIA, IKBKB, IKBKG ESR1 14/4885ESR2 8/4885CRHR1 1558/4885
US-20060111421-A1 Method of treating or preventing myocardial ischemia-reperfusion injury using NF-kB inhibitors IKBKB, NFKBIA, IKBKG ESR1 19/4885ESR2 11/4885CRHR1 1375/4885
US-20050119276-A1 Methods of treating inflammatory bowel disease using NF-kB inhibitors NFKBIA, IKBKB, IKBKG ESR1 14/4885ESR2 9/4885CRHR1 648/4885
US-20060111574-A1 Preparation and purification of 4-(indazol-3-yl) phenols H1-10, KCNH3, H1-0 ESR1 3185/4885ESR2 4011/4885CRHR1 4220/4885
US-20060160836-A1 Estrogen receptor structure ESR2, ESR1, ESRRG ESR1 2/4885ESR2 1/4885CRHR1 165/4885

“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.