SCHEMBL4027072

SCHEMBL4027072

COC(=O)c1cccc2c(-c3ccc(O)cc3)n(C(C)C)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
ESR1 P03372 1/20 0.40
AKT1 P31749 1/20 0.38
PSMD14 O00487 1/20 0.38
ALDH1A1 P00352 2/20 0.38
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
TSHR P16473 3/20 0.37
POLB P06746 2/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.36
ESR2 Q92731 1/20 0.36
PKN1 Q16512 1/20 0.36
PKN2 Q16513 1/20 0.36
CA12 O43570 3/20 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
SCHEMBL4034173 0.78 ESR1 (0.45) KDM4EGAAKMT2AESR1ALDH1A1
SCHEMBL4028546 0.77 ESR1 (0.47) ESR1ESR2MPO
SCHEMBL4029752 0.77 ESR1 (0.44) ESR1ESR2MPO
SCHEMBL1407552 0.69 NR1H2 (0.58) KDM4EGAAKMT2AALDH1A1POLB
SCHEMBL4027168 0.69 HTR2A (0.46) KDM4EKMT2AALDH1A1POLBLMNA
Dimethyl Phthalate SCHEMBL28245676 0.68 TSHR (0.62) KDM4EGAAKMT2AATMALDH1A1
SCHEMBL4031736 0.68 HTR2A (0.45) KMT2AMPO
SCHEMBL4030919 0.66 NR1H2 (0.46) ESR1MPO
SCHEMBL4030276 0.66 DHODH (0.36) KDM4EESR1POLBHSD17B10
SCHEMBL667108 0.66 KDM4E (0.49) KDM4EGAAKMT2AATMPSMD14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-1321984-C Substituted 4- (indazol-3-yl) phenols as Estrogen Receptor (ER) ligands and their use in the treatment of inflammation WYETH CORP (US) 2007-06-20 CN claimed
US-20060111421-A1 Method of treating or preventing myocardial ischemia-reperfusion injury using NF-kB inhibitors WYETH (US) 2006-05-25 US claimed
CN-1692102-A Substituted 4- (indazol-3-yl) phenols as Estrogen Receptor (ER) ligands and their use in the treatment of inflammation WYETH CORP (US) 2005-11-02 CN 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-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
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
CN-101054364-A Substituted 4-(indazol-3-yl)phenols as estrogen receptor (ER) ligands and their use in the treatmentof inflammarory diseases WYETH CORP (US) 2007-10-17 CN 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
CN-1321984-C Substituted 4- (indazol-3-yl) phenols as Estrogen Receptor (ER) ligands and their use in the treatment of inflammation WYETH CORP (US) 2007-06-20 CN disclosed
CN-1692102-A Substituted 4- (indazol-3-yl) phenols as Estrogen Receptor (ER) ligands and their use in the treatment of inflammation WYETH CORP (US) 2005-11-02 CN disclosed
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 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 (3 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 KDM4E 339/4885GAA 4756/4885KMT2A 2656/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 KDM4E 408/4885GAA 4549/4885KMT2A 2418/4885
US-20060111421-A1 Method of treating or preventing myocardial ischemia-reperfusion injury using NF-kB inhibitors IKBKB, NFKBIA, IKBKG KDM4E 2247/4885GAA 2386/4885KMT2A 2556/4885

“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.