SCHEMBL4025754

SCHEMBL4025754

COc1ccc(-c2nn(C3CCCCC3)c3c(C(F)(F)F)cccc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.52
LCK P06239 2/20 0.42
LYN P07948 2/20 0.42
EGFR P00533 1/20 0.42
BLK P51451 1/20 0.42
BTK Q06187 5/20 0.41
CMKLR1 Q99788 2/20 0.41
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL4028999 0.85 ESR1 (0.71) ESR1CMKLR1MEN1KMT2A
SCHEMBL4025963 0.85 ESR1 (0.71) ESR1LCKLYNEGFRBLK
SCHEMBL4031188 0.84 ESR1 (0.72) ESR1LCKLYNEGFRBLK
SCHEMBL4026770 0.83 ESR1 (0.39) ESR1LCKLYNEGFRBLK
SCHEMBL4033707 0.83 ESR1 (0.73) ESR1LCKLYNEGFRBLK
SCHEMBL5411401 0.82 ESR1 (0.72) ESR1LCKLYNEGFRBLK
SCHEMBL4025633 0.81 CYP1A1 (0.39) ESR1LCKLYNEGFRBLK
SCHEMBL4030066 0.76 ESR1 (0.74) ESR1EGFRPTGS1PTGS2
SCHEMBL4026375 0.74 ESR1 (0.60) ESR1SMN1; SMN2ALDH1A1HPGD
SCHEMBL4482274 0.74 ALDH1A1 (0.46) MEN1KMT2ANPSR1ALDH1A1LMNA

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
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-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
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 (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-20070225349-A1 Substituted 4-(Indazol-3-yl)phenols INSR, TNNI3, INSRR ESR1 1028/4885LCK 1054/4885LYN 1110/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 ESR1 2487/4885LCK 885/4885LYN 1155/4885

“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.