SCHEMBL3890967

SCHEMBL3890967

C=CCn1nc(-c2ccc(O)cc2O)c2cccc(C(F)(F)F)c21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 15/20 1.00
ESR2 Q92731 2/20 1.00
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
CNR1 P21554 1/20 0.37
NR2F2 P24468 1/20 0.37
CNR2 P34972 1/20 0.37
KMT2A Q03164 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
RORC P51449 2/20 0.35

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
SCHEMBL4032053 0.90 ESR1 (1.00) ESR1ESR2HSD17B1HSD17B2RORC
SCHEMBL5501902 0.88 ESR1 (0.78) ESR1ESR2MEN1MAPTCNR1
SCHEMBL4034568 0.85 ESR1 (0.74) ESR1ESR2
SCHEMBL4030063 0.85 ESR1 (0.74) ESR1ESR2MEN1MAPTKMT2A
SCHEMBL4028196 0.83 ESR1 (0.73) ESR1ESR2MEN1MAPTCNR1
SCHEMBL4035587 0.83 ESR1 (0.71) ESR1ESR2
SCHEMBL4026484 0.82 ESR1 (0.70) ESR1ESR2MEN1MAPTCNR1
SCHEMBL4032442 0.81 ESR1 (0.67) ESR1ESR2CNR2
SCHEMBL4026002 0.81 ESR1 (0.67) ESR1ESR2MEN1MAPTCNR1
SCHEMBL4030256 0.80 ESR1 (0.67) ESR1ESR2HSD17B1HSD17B2

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7555415-B2 Methods for the design of estrogen receptor ligands WYETH (US) 2009-06-30 US claimed
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 claimed
US-20070225349-A1 Substituted 4-(Indazol-3-yl)phenols WYETH (US) 2007-09-27 US claimed
US-7241791-B2 Substituted 4-(indazol-3-yl)phenols WYETH (US) 2007-07-10 US claimed
US-20060111421-A1 Method of treating or preventing myocardial ischemia-reperfusion injury using NF-kB inhibitors WYETH (US) 2006-05-25 US claimed
EP-1542976-A1 SUBSTITUTED 4-(INDAZOL-3-YL)PHENOLS AS ESTROGEN RECEPTOR (ER) LIGANDS AND THEIR USE IN THE TREATMENT OF INFLAMMATORY DISEASES Wyeth (US) 2005-06-22 EP claimed
US-20050113405-A1 Methods of treating rheumatoid arthritis using NF-kB inhibitors WYETH (US) 2005-05-26 US claimed
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols WYETH (US) 2004-08-26 US claimed
WO-2004031159-A1 SUBSTITUTED 4-(INDAZOL-3-YL)PHENOLS AS ESTROGEN RECEPTOR (ER) LIGANDS AND THEIR USE IN THE TREATMENT OF INFLAMMATORY DISEASES WYETH (US) 2004-04-15 WO claimed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 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-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
US-20050119276-A1 Methods of treating inflammatory bowel disease 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-2005039581-A1 USE OF ESTROGEN RECEPTOR LIGANDS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE WYETH (US) 2005-05-06 WO disclosed
WO-2005039582-A1 METHODS OF TREATING ATHEROSCLEROSIS USING NF-kB INHIBITORS WYETH (US) 2005-05-06 WO disclosed
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols WYETH (US) 2004-08-26 US disclosed
WO-2004031159-A1 SUBSTITUTED 4-(INDAZOL-3-YL)PHENOLS AS ESTROGEN RECEPTOR (ER) LIGANDS AND THEIR USE IN THE TREATMENT OF INFLAMMATORY DISEASES WYETH (US) 2004-04-15 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 (5 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 621/4885MEN1 1719/4885
US-20050113405-A1 Methods of treating rheumatoid arthritis using NF-kB inhibitors NFKBIA, IKBKB, IKBKG ESR1 14/4885ESR2 10/4885MEN1 4855/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 ESR1 2487/4885ESR2 605/4885MEN1 2749/4885
US-20060111421-A1 Method of treating or preventing myocardial ischemia-reperfusion injury using NF-kB inhibitors IKBKB, NFKBIA, IKBKG ESR1 19/4885ESR2 11/4885MEN1 4875/4885
US-20050119276-A1 Methods of treating inflammatory bowel disease using NF-kB inhibitors NFKBIA, IKBKB, IKBKG ESR1 14/4885ESR2 9/4885MEN1 4862/4885

“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.