SCHEMBL4031327

SCHEMBL4031327

COc1ccc(-c2nn(C(C)C)c3c(Cl)cccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.48
SRC P12931 2/20 0.45
PIK3CD O00329 1/20 0.45
ABL1 P00519 1/20 0.45
EGFR P00533 1/20 0.45
HCK P08631 1/20 0.45
KDR P35968 1/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45
MTOR P42345 1/20 0.45
PIK3CG P48736 1/20 0.45
EPHB4 P54760 1/20 0.45
PRKDC P78527 1/20 0.45
PI4KB Q9UBF8 1/20 0.45
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ADORA2A P29274 1/20 0.40

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
SCHEMBL4031268 0.85 ESR1 (0.49) ESR1SRCPIK3CDABL1EGFR
SCHEMBL5397335 0.84 ESR1 (0.51) ESR1SRCPIK3CDABL1EGFR
SCHEMBL4030674 0.84 ESR1 (0.67) ESR1SRCPIK3CDABL1EGFR
SCHEMBL4028791 0.82 ESR1 (0.50) ESR1SRCPIK3CDABL1EGFR
SCHEMBL4029582 0.82 CYP1A1 (0.42) ESR1SRCPIK3CDABL1EGFR
SCHEMBL4030066 0.81 ESR1 (0.74) ESR1SRCPIK3CDABL1EGFR
SCHEMBL4027997 0.77 ESR1 (0.73) ESR1MAPTTP53RAB9AKMT2A
SCHEMBL4031736 0.76 HTR2A (0.45) SRCPIK3CDABL1EGFRHCK
SCHEMBL13324084 0.76 KDM4E (0.55) SRCPIK3CDABL1EGFRHCK
SCHEMBL5411401 0.75 ESR1 (0.72) ESR1EGFRMAPTTP53KMT2A

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 4 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
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 (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 1028/4885SRC 2444/4885PIK3CD 2619/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 ESR1 2487/4885SRC 1877/4885PIK3CD 2207/4885

“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.